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

Systemtic Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: 3-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 3-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 3-[(4-keto-3-veratryl-quinazolin-2-yl)thio]propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-26-16-8-7-13(11-17(16)27-2)12-23-19(25)14-5-3-4-6-15(14)22-20(23)28-10-9-18(21)24/h3-8,11H,9-10,12H2,1-2H3,(H2,21,24)