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

Systemtic Name: 6-morpholin-4-yl-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 6-morpholino-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 6-morpholin-4-yl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]-6-morpholino-3-phenethyl-quinazolin-4-one Formula: C29H27N5O3S MolecularWeight: 525.62138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC5=CC(=O)N6C=CC=CC6=N5

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC5=CC(=O)N6C=CC=CC6=N5

InChI

InChI=1S/C29H27N5O3S/c35-27-18-22(30-26-8-4-5-12-33(26)27)20-38-29-31-25-10-9-23(32-14-16-37-17-15-32)19-24(25)28(36)34(29)13-11-21-6-2-1-3-7-21/h1-10,12,18-19H,11,13-17,20H2