2-[(2S)-butan-2-yl]sulfanyl-3-methyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-methyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-methyl-2-[(1S)-1-methylpropyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-methyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-3-methyl-6-oxopyrimidin-4-olate Traditional Name: 6-keto-3-methyl-2-[[(1S)-1-methylpropyl]thio]pyrimidin-4-olate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1C)[O-]

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C=C(N1C)[O-]

InChI

InChI=1S/C9H14N2O2S/c1-4-6(2)14-9-10-7(12)5-8(13)11(9)3/h5-6,13H,4H2,1-3H3/p-1/t6-/m0/s1