2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(1-methyl-2-benzimidazolyl)methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(1-methylbenzimidazol-2-yl)methyl]-1H-quinazoline-7-carboxylate Formula: C18H13N4O3- MolecularWeight: 333.32082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H14N4O3/c1-22-14-5-3-2-4-12(14)20-16(22)9-15-19-13-8-10(18(24)25)6-7-11(13)17(23)21-15/h2-8H,9H2,1H3,(H,24,25)(H,19,21,23)/p-1