2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 3-(3-ethoxypropyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C25H26N2O4S/c1-4-30-13-7-12-27-24(29)20-8-5-6-9-21(20)26-25(27)32-15-18-14-22(28)31-23-17(3)16(2)10-11-19(18)23/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3