ethyl 4-azanyl-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2,6-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)N2C(CCCC2C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(CCCC2C)C

InChI

InChI=1S/C16H24N4O3S/c1-4-23-15(22)12-8-18-16(19-14(12)17)24-9-13(21)20-10(2)6-5-7-11(20)3/h8,10-11H,4-7,9H2,1-3H3,(H2,17,18,19)