2-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H20N3O2S- MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)NC2CCCCC2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@@H](C)C(=O)NC2CCCCC2)[O-]

InChI

InChI=1S/C14H21N3O2S/c1-9-8-12(18)17-14(15-9)20-10(2)13(19)16-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,16,19)(H,15,17,18)/p-1/t10-/m0/s1