2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]-6-piperidino-quinazolin-4-one Formula: C29H27N5O2S MolecularWeight: 509.62198

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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=CC=CC6=N5

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O2S/c35-27-17-22(30-26-11-5-8-16-33(26)27)20-37-29-31-25-13-12-23(32-14-6-2-7-15-32)18-24(25)28(36)34(29)19-21-9-3-1-4-10-21/h1,3-5,8-13,16-18H,2,6-7,14-15,19-20H2