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

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(dimethylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(dimethylamino)pyrimidine-5-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(dimethylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(dimethylamino)pyrimidine-5-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-4-(dimethylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(C)C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(C)C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H19N5O2S/c1-4-24-16(23)11-9-18-14(21-15(11)22(2)3)10-25-17-19-12-7-5-6-8-13(12)20-17/h5-9H,4,10H2,1-3H3,(H,19,20)