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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4

InChI

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