ethyl 4-azanyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H24N4O3S MolecularWeight: 352.45176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C16H24N4O3S/c1-3-11-7-5-6-8-20(11)13(21)10-24-16-18-9-12(14(17)19-16)15(22)23-4-2/h9,11H,3-8,10H2,1-2H3,(H2,17,18,19)