2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione

Systemtic Name: 2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Openeye Name: 2-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione CAS Name: 2-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione IUPAC Name: 2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Traditional Name: 2-[[6-(4-methylpiperazino)-3-pyridyl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Formula: C23H22F3N7S MolecularWeight: 485.52789

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NC3=NC=C4CC(=S)NC5=C(C4=N3)C=CC(=C5)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NC3=NC=C4CC(=S)NC5=C(C4=N3)C=CC(=C5)C(F)(F)F

InChI

InChI=1S/C23H22F3N7S/c1-32-6-8-33(9-7-32)19-5-3-16(13-27-19)29-22-28-12-14-10-20(34)30-18-11-15(23(24,25)26)2-4-17(18)21(14)31-22/h2-5,11-13H,6-10H2,1H3,(H,30,34)(H,28,29,31)