70307133 -OEChem-03282420552D 50 53 0 1 0 0 0 0 0999 V2000 2.8660 0.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -0.2824 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3233 -2.2823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 -1.7723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5914 -2.2623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4747 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 -3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -3.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 -3.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 -2.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 -0.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 -2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 -0.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 -0.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4004 -2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -1.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -1.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3382 -1.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1132 -3.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 -1.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 -4.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 -3.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 2 24 1 0 0 0 0 2 26 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 14 2 0 0 0 0 5 21 1 0 0 0 0 6 19 1 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 6 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END > 70307133 > 1 > 526 > 6 > 1 > 4 > AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIEAAAAAAACx8AAAHgAQAAAADSzBngY39vfIFACgAyZjZACCiCkxIqAJ2KA+7JiNbqLE+duUNCpu0BvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA== > 4-[(3S)-3-cyclohexa-2,4-dien-1-ylpiperazin-1-yl]-6,7-dimethoxy-quinazoline > 4-[(3S)-3-(1-cyclohexa-2,4-dienyl)-1-piperazinyl]-6,7-dimethoxyquinazoline > 4-[(3S)-3-cyclohexa-2,4-dien-1-ylpiperazin-1-yl]-6,7-dimethoxyquinazoline > 4-[(3S)-3-cyclohexa-2,4-dien-1-ylpiperazin-1-yl]-6,7-dimethoxyquinazoline > 4-[(3S)-3-cyclohexa-2,4-dien-1-ylpiperazin-1-yl]-6,7-dimethoxy-quinazoline > 4-[(3S)-3-cyclohexa-2,4-dien-1-ylpiperazino]-6,7-dimethoxy-quinazoline > InChI=1S/C20H24N4O2/c1-25-18-10-15-16(11-19(18)26-2)22-13-23-20(15)24-9-8-21-17(12-24)14-6-4-3-5-7-14/h3-6,10-11,13-14,17,21H,7-9,12H2,1-2H3/t14?,17-/m1/s1 > QVBMDEKYXOYYBY-FBMWCMRBSA-N > 3.1 > 352.18992602 > C20H24N4O2 > 352.4 > COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNC(C3)C4CC=CC=C4)OC > COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN[C@H](C3)C4CC=CC=C4)OC > 59.5 > 352.18992602 > 0 > 26 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 17 8 17 19 8 17 20 8 19 22 8 20 23 8 22 24 8 23 24 8 5 14 8 5 21 8 6 19 8 6 21 8 7 27 6 8 12 3 $$$$