ethyl 4-azanyl-2-(2-methylpropylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-methylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-isobutylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-(2-methylpropylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-methylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(isobutylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(C)C

InChI

InChI=1S/C11H17N3O2S/c1-4-16-10(15)8-5-13-11(14-9(8)12)17-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,12,13,14)