4-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(4-keto-3-veratryl-quinazolin-2-yl)thio]butyronitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N)OC

InChI

InChI=1S/C21H21N3O3S/c1-26-18-10-9-15(13-19(18)27-2)14-24-20(25)16-7-3-4-8-17(16)23-21(24)28-12-6-5-11-22/h3-4,7-10,13H,5-6,12,14H2,1-2H3