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

Systemtic Name: ethyl 4-azanyl-2-[2-(2-cyclohexylethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-cyclohexylethylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-cyclohexylethylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-cyclohexylethylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2CCCCC2

InChI

InChI=1S/C17H26N4O3S/c1-2-24-16(23)13-10-20-17(21-15(13)18)25-11-14(22)19-9-8-12-6-4-3-5-7-12/h10,12H,2-9,11H2,1H3,(H,19,22)(H2,18,20,21)