ethyl 4-azanyl-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CC(CC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C16H24N4O3S/c1-4-23-15(22)12-6-18-16(19-14(12)17)24-9-13(21)20-7-10(2)5-11(3)8-20/h6,10-11H,4-5,7-9H2,1-3H3,(H2,17,18,19)/t10-,11-/m1/s1