2-[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C14H22N3O2S- MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2S/c1-4-6-10(3)15-13(19)9-20-14-16-11(7-5-2)8-12(18)17-14/h8,10H,4-7,9H2,1-3H3,(H,15,19)(H,16,17,18)/p-1/t10-/m1/s1