3-cyclopropyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-cyclopropyl-2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopropyl-2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopropyl-2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)O

InChI

InChI=1S/C22H18N2O4S/c1-12-18(25)9-8-15-13(10-19(26)28-20(12)15)11-29-22-23-17-5-3-2-4-16(17)21(27)24(22)14-6-7-14/h2-5,8-10,14,25H,6-7,11H2,1H3