ethyl 4-azanyl-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-methoxy-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-methoxy-2-oxoethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-methoxy-2-oxoethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-2-methoxy-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C10H13N3O4S MolecularWeight: 271.29292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O4S/c1-3-17-9(15)6-4-12-10(13-8(6)11)18-5-7(14)16-2/h4H,3,5H2,1-2H3,(H2,11,12,13)