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

Systemtic Name: 3-cyclohexyl-5-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-3-cyclohexyl-5-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclohexyl-5-ethyl-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-3-cyclohexyl-5-ethyl-6-oxopyrimidin-4-olate Traditional Name: 2-(benzylthio)-3-cyclohexyl-5-ethyl-6-keto-pyrimidin-4-olate Formula: C19H23N2O2S- MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)C3CCCCC3)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)C3CCCCC3)[O-]

InChI

InChI=1S/C19H24N2O2S/c1-2-16-17(22)20-19(24-13-14-9-5-3-6-10-14)21(18(16)23)15-11-7-4-8-12-15/h3,5-6,9-10,15,23H,2,4,7-8,11-13H2,1H3/p-1