69690021 -OEChem-05102410282D 66 69 0 0 0 0 0 0 0999 V2000 10.8603 -2.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 -1.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.5005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8603 -2.9636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.0005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.4995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3602 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3603 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3603 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3603 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 3.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 2.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4429 0.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 1.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 0.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 -0.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 -0.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 0.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 -1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9679 -1.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 1.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9429 -1.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 -1.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 3.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 3.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 4.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4803 -2.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5503 -3.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 2.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 2.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 2.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -2.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -2.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -2.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 45 1 0 0 0 0 6 21 1 0 0 0 0 6 55 1 0 0 0 0 6 56 1 0 0 0 0 7 25 2 0 0 0 0 7 26 1 0 0 0 0 8 25 1 0 0 0 0 8 27 2 0 0 0 0 9 27 1 0 0 0 0 9 59 1 0 0 0 0 9 60 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 17 46 1 0 0 0 0 18 23 2 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 69690021 > 1 > 653 > 8 > 3 > 8 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAQAAAADgzBnwYz9vfIFACoAydydACCiCkhIqAJmKC+7JiNbqLE+duUNCpuxhvK6Cew0NMPoEABAgACQABAgAIEAASAAAAAAAAAAA== > 2-amino-1-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)methylamino]methyl]-4-phenyl-1-piperidyl]ethanone > 2-amino-1-[4-[[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]methyl]-4-phenyl-1-piperidinyl]ethanone > 2-amino-1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)methylamino]methyl]-4-phenylpiperidin-1-yl]ethanone > 2-amino-1-[4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)methylamino]methyl]-4-phenylpiperidin-1-yl]ethanone > 2-azanyl-1-[4-[[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)methylamino]methyl]-4-phenyl-piperidin-1-yl]ethanone > 2-amino-1-[4-[[(4-amino-6,7-dimethoxy-quinazolin-2-yl)methylamino]methyl]-4-phenyl-piperidino]ethanone > InChI=1S/C25H32N6O3/c1-33-20-12-18-19(13-21(20)34-2)29-22(30-24(18)27)15-28-16-25(17-6-4-3-5-7-17)8-10-31(11-9-25)23(32)14-26/h3-7,12-13,28H,8-11,14-16,26H2,1-2H3,(H2,27,29,30) > XGVUQBJSXLSZQD-UHFFFAOYSA-N > 1.4 > 464.25358890 > C25H32N6O3 > 464.6 > COC1=C(C=C2C(=C1)C(=NC(=N2)CNCC3(CCN(CC3)C(=O)CN)C4=CC=CC=C4)N)OC > COC1=C(C=C2C(=C1)C(=NC(=N2)CNCC3(CCN(CC3)C(=O)CN)C4=CC=CC=C4)N)OC > 129 > 464.25358890 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 16 18 8 17 22 8 18 23 8 22 24 8 23 24 8 26 28 8 26 29 8 27 28 8 28 30 8 29 31 8 30 32 8 31 32 8 7 25 8 7 26 8 8 25 8 8 27 8 $$$$