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

Systemtic Name: 2-[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C13H20N3O2S- MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2S/c1-4-6-10-7-11(17)16-13(15-10)19-8-12(18)14-9(3)5-2/h7,9H,4-6,8H2,1-3H3,(H,14,18)(H,15,16,17)/p-1/t9-/m1/s1