54644183 -OEChem-04192418162D 62 65 0 1 0 0 0 0 0999 V2000 6.4021 0.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 2.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 6.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.9648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 4.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -3.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -4.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.5352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5361 -0.4648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6701 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 1.0352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6701 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -6.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -7.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -6.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 7.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 1.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 0.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -0.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -2.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1467 -1.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8696 2.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -1.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6711 1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2714 -3.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 4.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 3.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -6.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -4.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 6.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 4.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 5.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -7.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -5.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -7.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 7.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 7.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 7.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 48 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 4 33 1 0 0 0 0 10 5 1 6 0 0 0 5 18 1 0 0 0 0 5 45 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 50 1 0 0 0 0 8 9 2 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 1 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 25 30 1 0 0 0 0 25 52 1 0 0 0 0 26 31 2 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 54644183 > 1 > 605 > 6 > 3 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAAAB0AAAHgAYCAAADDzhngY/xpLIBgCqAzRnVACCDAQxsgAY2KA/fJiPdqLEsZuXcChu1hPb6CewwKAOAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA== > 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethyl]tetrahydropyran-3-yl]-3-(2-methoxyphenyl)urea > 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea > 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethyl]oxan-3-yl]-3-(2-methoxyphenyl)urea > 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethyl]oxan-3-yl]-3-(2-methoxyphenyl)urea > 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1,2,3-triazol-1-yl)ethyl]oxan-3-yl]-3-(2-methoxyphenyl)urea > 1-(2-methoxyphenyl)-3-[(2S,3S,6R)-2-methylol-6-[2-(4-phenyltriazol-1-yl)ethyl]tetrahydropyran-3-yl]urea > InChI=1S/C24H29N5O4/c1-32-22-10-6-5-9-19(22)25-24(31)26-20-12-11-18(33-23(20)16-30)13-14-29-15-21(27-28-29)17-7-3-2-4-8-17/h2-10,15,18,20,23,30H,11-14,16H2,1H3,(H2,25,26,31)/t18-,20+,23-/m1/s1 > NDVPIYMUFIVVFZ-QMHWCDLVSA-N > 2.7 > 451.22195442 > C24H29N5O4 > 451.5 > COC1=CC=CC=C1NC(=O)NC2CCC(OC2CO)CCN3C=C(N=N3)C4=CC=CC=C4 > COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CC=CC=C4 > 111 > 451.22195442 > 0 > 33 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 5 13 16 5 19 20 8 21 23 8 21 24 8 22 25 8 22 26 8 23 27 8 24 28 8 25 30 8 26 31 8 27 29 8 28 29 8 30 32 8 31 32 8 10 5 6 6 19 8 6 8 8 8 9 8 9 20 8 $$$$