ethyl 4-azanyl-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1-oxo-1-phenylpropan-2-yl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(1-oxo-1-phenylpropan-2-yl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-1-methyl-2-phenyl-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-3-22-15(21)12-9-18-16(19-14(12)17)23-10(2)13(20)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,17,18,19)