ethyl 4-(1H-benzimidazol-2-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1H-benzimidazol-2-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1H-benzimidazol-2-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(1H-benzimidazol-2-ylmethylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1H-benzimidazol-2-ylmethylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(1H-benzimidazol-2-ylmethylamino)-2-(methylthio)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=C1NCC2=NC3=CC=CC=C3N2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=NC3=CC=CC=C3N2)SC

InChI

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