ethyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C17H26N4O4S MolecularWeight: 382.47774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCC2=C(NC(=NC2=O)SC)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCC2=C(NC(=NC2=O)SC)C

InChI

InChI=1S/C17H26N4O4S/c1-4-25-17(24)21-9-7-12(8-10-21)19-14(22)6-5-13-11(2)18-16(26-3)20-15(13)23/h12H,4-10H2,1-3H3,(H,19,22)(H,18,20,23)