2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-6-piperidino-quinazolin-4-one Formula: C29H26ClN5O2S MolecularWeight: 544.06704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC(=O)N6C=C(C=CC6=N5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC(=O)N6C=C(C=CC6=N5)Cl

InChI

InChI=1S/C29H26ClN5O2S/c30-21-9-12-26-31-22(15-27(36)34(26)18-21)19-38-29-32-25-11-10-23(33-13-5-2-6-14-33)16-24(25)28(37)35(29)17-20-7-3-1-4-8-20/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17,19H2