2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H20N3O2S- MolecularWeight: 294.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-9-4-3-5-11(10(9)2)16-13(19)8-20-14-15-7-6-12(18)17-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,19)(H,15,17,18)/p-1/t9-,10+,11+/m0/s1