2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C23H22N2O3S/c1-4-9-25-22(27)17-7-5-6-8-19(17)24-23(25)29-13-16-12-21(26)28-20-11-15(3)14(2)10-18(16)20/h5-8,10-12H,4,9,13H2,1-3H3