ethyl 4-[(3-methylphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-methylphenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(m-tolylmethylamino)pyrimidine-5-carboxylate CAS Name: 4-[(3-methylphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-methylbenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC(=C2)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC(=C2)C)SC

InChI

InChI=1S/C16H19N3O2S/c1-4-21-15(20)13-10-18-16(22-3)19-14(13)17-9-12-7-5-6-11(2)8-12/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)