2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C14H20N3O2S- MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2CCCCC2)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2CCCCC2)C

InChI

InChI=1S/C14H21N3O2S/c1-9-10(2)15-14(17-13(9)19)20-8-12(18)16-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,16,18)(H,15,17,19)/p-1