2-[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H26N3O2S- MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2CCCC(C2C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N[C@@H]2CCC[C@H]([C@@H]2C)C)[O-]

InChI

InChI=1S/C17H27N3O2S/c1-4-6-13-9-15(21)20-17(18-13)23-10-16(22)19-14-8-5-7-11(2)12(14)3/h9,11-12,14H,4-8,10H2,1-3H3,(H,19,22)(H,18,20,21)/p-1/t11-,12+,14-/m1/s1