ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(methylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(methylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(methylamino)pyrimidine-5-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(methylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(methylamino)pyrimidine-5-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(methylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H17N5O2S/c1-3-23-15(22)10-8-18-13(21-14(10)17-2)9-24-16-19-11-6-4-5-7-12(11)20-16/h4-8H,3,9H2,1-2H3,(H,19,20)(H,17,18,21)