2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]thio]pyrimidin-4-olate Formula: C13H18N3O2S- MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H19N3O2S/c1-9-4-2-3-5-10(9)15-12(18)8-19-13-14-7-6-11(17)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,18)(H,14,16,17)/p-1/t9-,10-/m1/s1