3-(4-butan-2-ylphenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C29H26N2O4S MolecularWeight: 498.59274

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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)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C29H26N2O4S/c1-4-18(2)19-9-11-21(12-10-19)31-28(33)24-7-5-6-8-25(24)30-29(31)36-17-20-15-27(32)35-26-16-22(34-3)13-14-23(20)26/h5-16,18H,4,17H2,1-3H3