2-[2-[[4-(cyclohexylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(cyclohexylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[(cyclohexylamino)-oxomethyl]anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H23N4O3S- MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CCCCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CCCCC3)[O-]

InChI

InChI=1S/C20H24N4O3S/c1-13-11-17(25)24-20(21-13)28-12-18(26)22-16-9-7-14(8-10-16)19(27)23-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,22,26)(H,23,27)(H,21,24,25)/p-1