2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanyl-4-(3-pyridylmethylamino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(3-pyridinylmethylamino)-5-pyrimidinecarboxylate IUPAC Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(3-pyridylmethylamino)pyrimidine-5-carboxylate Formula: C12H11N4O2S- MolecularWeight: 275.30634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC2=CN=CC=C2)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC2=CN=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c1-19-12-15-7-9(11(17)18)10(16-12)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16)/p-1