3-(4-butan-2-ylphenyl)-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C27H24N4O2S/c1-3-18(2)19-11-13-21(14-12-19)31-26(33)22-8-4-5-9-23(22)29-27(31)34-17-20-16-25(32)30-15-7-6-10-24(30)28-20/h4-16,18H,3,17H2,1-2H3