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

Systemtic Name: 9-chloranyl-2-[(2-methyl-6-piperidin-1-yl-pyridin-3-yl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Openeye Name: 9-chloro-2-[[2-methyl-6-(1-piperidyl)-3-pyridyl]amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione CAS Name: 9-chloro-2-[[2-methyl-6-(1-piperidinyl)-3-pyridinyl]amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione IUPAC Name: 9-chloro-2-[(2-methyl-6-piperidin-1-ylpyridin-3-yl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Traditional Name: 9-chloro-2-[(2-methyl-6-piperidino-3-pyridyl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Formula: C23H23ClN6S MolecularWeight: 450.98692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N2CCCCC2)NC3=NC=C4CC(=S)NC5=C(C4=N3)C=CC(=C5)Cl

Isomeric SMILES

CC1=C(C=CC(=N1)N2CCCCC2)NC3=NC=C4CC(=S)NC5=C(C4=N3)C=CC(=C5)Cl

InChI

InChI=1S/C23H23ClN6S/c1-14-18(7-8-20(26-14)30-9-3-2-4-10-30)28-23-25-13-15-11-21(31)27-19-12-16(24)5-6-17(19)22(15)29-23/h5-8,12-13H,2-4,9-11H2,1H3,(H,27,31)(H,25,28,29)