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

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 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]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C11H16N3O2S- MolecularWeight: 254.32864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O2S/c1-4-7(2)12-10(16)6-17-11-13-8(3)5-9(15)14-11/h5,7H,4,6H2,1-3H3,(H,12,16)(H,13,14,15)/p-1/t7-/m0/s1