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

Systemtic Name: 3-hexyl-2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-hexyl-2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-hexyl-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-hexyl-2-[(2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C25H26N2O3S/c1-3-4-5-8-13-27-24(29)20-9-6-7-10-21(20)26-25(27)31-16-18-15-23(28)30-22-14-17(2)11-12-19(18)22/h6-7,9-12,14-15H,3-5,8,13,16H2,1-2H3