methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-keto-3-(2-methoxyethyl)quinazoline-7-carboxylic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O4S/c1-28-10-9-25-19(26)14-8-7-13(20(27)29-2)11-17(14)24-21(25)30-12-18-22-15-5-3-4-6-16(15)23-18/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)