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

Systemtic Name: ethyl 5-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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-carboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CC3=NC4=CC=CC=C4N3C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CC3=NC4=CC=CC=C4N3C)C

InChI

InChI=1S/C19H18N4O3S/c1-4-26-19(25)16-10(2)15-17(24)21-13(22-18(15)27-16)9-14-20-11-7-5-6-8-12(11)23(14)3/h5-8H,4,9H2,1-3H3,(H,21,22,24)