ethyl 4-azanyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-oxocyclohexyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxocyclohexyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxocyclohexyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-ketocyclohexyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2CCCCC2=O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2CCCCC2=O

InChI

InChI=1S/C13H17N3O3S/c1-2-19-12(18)8-7-15-13(16-11(8)14)20-10-6-4-3-5-9(10)17/h7,10H,2-6H2,1H3,(H2,14,15,16)