2-methylsulfanyl-4-[(phenylmethyl)amino]pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanyl-4-[(phenylmethyl)amino]pyrimidine-5-carboxylate Openeye Name: 4-(benzylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[(phenylmethyl)amino]-5-pyrimidinecarboxylate IUPAC Name: 4-(benzylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate Formula: C13H12N3O2S- MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2S/c1-19-13-15-8-10(12(17)18)11(16-13)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,14,15,16)/p-1