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

Systemtic Name: 2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H24N3O2S- MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2CCCCC2C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-3-6-12-9-14(20)19-16(17-12)22-10-15(21)18-13-8-5-4-7-11(13)2/h9,11,13H,3-8,10H2,1-2H3,(H,18,21)(H,17,19,20)/p-1/t11-,13+/m1/s1