ethyl 4-azanyl-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CCCCC2

InChI

InChI=1S/C15H22N4O3S/c1-2-22-14(21)11-8-17-15(19-13(11)16)23-9-12(20)18-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H,18,20)(H2,16,17,19)