methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H14N4O3S/c1-25-17(24)10-6-7-11-14(8-10)19-15(22-16(11)23)9-26-18-20-12-4-2-3-5-13(12)21-18/h2-8H,9H2,1H3,(H,20,21)(H,19,22,23)