3-cyclohexyl-5-ethyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 3-cyclohexyl-5-ethyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-3-cyclohexyl-5-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-cyclohexyl-5-ethyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-3-cyclohexyl-5-ethyl-6-oxopyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-3-cyclohexyl-5-ethyl-6-keto-pyrimidin-4-olate Formula: C20H24N3O3S- MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-2-16-18(25)22-20(23(19(16)26)15-11-7-4-8-12-15)27-13-17(24)21-14-9-5-3-6-10-14/h3,5-6,9-10,15,26H,2,4,7-8,11-13H2,1H3,(H,21,24)/p-1