methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C19H16N4O4S/c1-26-11-4-6-13-15(8-11)22-19(21-13)28-9-16-20-14-7-10(18(25)27-2)3-5-12(14)17(24)23-16/h3-8H,9H2,1-2H3,(H,21,22)(H,20,23,24)