5-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(1-methyl-2-benzimidazolyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N4O3S- MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=NC4=CC=CC=C4N3C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=NC4=CC=CC=C4N3C)C(=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c1-8-13-15(22)19-11(20-16(13)25-14(8)17(23)24)7-12-18-9-5-3-4-6-10(9)21(12)2/h3-6H,7H2,1-2H3,(H,23,24)(H,19,20,22)/p-1