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

Systemtic Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[(4-keto-3-veratryl-quinazolin-2-yl)thio]propionitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCC#N)OC

InChI

InChI=1S/C20H19N3O3S/c1-25-17-9-8-14(12-18(17)26-2)13-23-19(24)15-6-3-4-7-16(15)22-20(23)27-11-5-10-21/h3-4,6-9,12H,5,11,13H2,1-2H3