3-cyclohexyl-5-ethyl-2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-cyclohexyl-5-ethyl-2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclohexyl-5-ethyl-2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclohexyl-5-ethyl-2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclohexyl-5-ethyl-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclohexyl-5-ethyl-6-keto-2-[[2-keto-2-(p-anisidino)ethyl]thio]pyrimidin-4-olate Formula: C21H26N3O4S- MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)OC)C3CCCCC3)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)OC)C3CCCCC3)[O-]

InChI

InChI=1S/C21H27N3O4S/c1-3-17-19(26)23-21(24(20(17)27)15-7-5-4-6-8-15)29-13-18(25)22-14-9-11-16(28-2)12-10-14/h9-12,15,27H,3-8,13H2,1-2H3,(H,22,25)/p-1