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

Systemtic Name: ethyl 4-azanyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(p-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-methylphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-methylbenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)C

InChI

InChI=1S/C15H17N3O2S/c1-3-20-14(19)12-8-17-15(18-13(12)16)21-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H2,16,17,18)