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

Systemtic Name: 6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(cyclohexylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclohexylamino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(cyclohexylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(cyclohexylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c23-17(20-15-9-5-2-6-10-15)11-16-12-18(24)22-19(21-16)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,12,15H,2,5-6,9-11,13H2,(H,20,23)(H,21,22,24)/p-1