methyl 2-[2-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(N-cyclohexylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(N-cyclohexylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(N-cyclohexylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(N-cyclohexylanilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N(C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-28-20(27)13-15-12-18(25)23-21(22-15)29-14-19(26)24(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1H3,(H,22,23,25)