ethyl 6-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(2-methylsulfonyl-1-benzimidazolyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(2-mesylbenzimidazol-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2C3=CC=CC=C3N=C2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2C3=CC=CC=C3N=C2S(=O)(=O)C

InChI

InChI=1S/C16H18N4O5S/c1-3-25-14(21)10-8-17-15(22)18-12(10)9-20-13-7-5-4-6-11(13)19-16(20)26(2,23)24/h4-7H,3,8-9H2,1-2H3,(H2,17,18,22)