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

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCCCC2

InChI

InChI=1S/C14H20N4O3S/c1-2-21-13(20)10-8-16-14(17-12(10)15)22-9-11(19)18-6-4-3-5-7-18/h8H,2-7,9H2,1H3,(H2,15,16,17)