ethyl 4-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3S/c1-3-28-22(27)19-15(2)23-20(16-10-6-4-7-11-16)25-21(19)29-14-18(26)24-17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-14H2,1-2H3,(H,24,26)