2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(1-oxidanylbutan-2-yl)quinazolin-4-one

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(1-oxidanylbutan-2-yl)quinazolin-4-one Openeye Name: 3-[1-(hydroxymethyl)propyl]-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1-hydroxybutan-2-yl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(1-hydroxybutan-2-yl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-(1-methylolpropyl)quinazolin-4-one Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C23H22N2O4S/c1-3-16(12-26)25-22(28)18-6-4-5-7-19(18)24-23(25)30-13-15-11-21(27)29-20-10-14(2)8-9-17(15)20/h4-11,16,26H,3,12-13H2,1-2H3