2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-(2-hydroxyethyl)-6-methyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H20N3O3S- MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=C(C(=N1)[O-])CCO)C

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=C(C(=N1)[O-])CCO)C

InChI

InChI=1S/C13H21N3O3S/c1-4-8(2)14-11(18)7-20-13-15-9(3)10(5-6-17)12(19)16-13/h8,17H,4-7H2,1-3H3,(H,14,18)(H,15,16,19)/p-1/t8-/m0/s1