ethyl 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)pyrimidine-5-carboxylate CAS Name: 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)pyrimidine-5-carboxylate Traditional Name: 2-[1H-benzimidazol-2-yl(sulfinyl)methyl]-4-(dimethylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(C)C)C(=S=O)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(C)C)C(=S=O)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H17N5O3S/c1-4-25-17(23)10-9-18-14(21-16(10)22(2)3)13(26-24)15-19-11-7-5-6-8-12(11)20-15/h5-9H,4H2,1-3H3,(H,19,20)