6-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(cyclohexylmethylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(cyclohexylmethylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(cyclohexylmethylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C20H24N3O2S- MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H25N3O2S/c24-18(21-13-15-7-3-1-4-8-15)11-17-12-19(25)23-20(22-17)26-14-16-9-5-2-6-10-16/h2,5-6,9-10,12,15H,1,3-4,7-8,11,13-14H2,(H,21,24)(H,22,23,25)/p-1