methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(veratrylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)OC

InChI

InChI=1S/C21H21N3O6S/c1-28-16-7-4-12(8-17(16)29-2)10-22-18(25)11-24-19(26)14-6-5-13(20(27)30-3)9-15(14)23-21(24)31/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,31)