2-[(2R)-butan-2-yl]sulfanyl-3-ethyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]pyrimidin-4-olate

Systemtic Name: 2-[(2R)-butan-2-yl]sulfanyl-3-ethyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]pyrimidin-4-olate Openeye Name: 3-ethyl-5-[(1S)-1-methylbutyl]-2-[(1R)-1-methylpropyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[(2R)-butan-2-yl]thio]-3-ethyl-6-oxo-5-[(2S)-pentan-2-yl]-4-pyrimidinolate IUPAC Name: 2-[(2R)-butan-2-yl]sulfanyl-3-ethyl-6-oxo-5-[(2S)-pentan-2-yl]pyrimidin-4-olate Traditional Name: 3-ethyl-6-keto-5-[(1S)-1-methylbutyl]-2-[[(1R)-1-methylpropyl]thio]pyrimidin-4-olate Formula: C15H25N2O2S- MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(N(C(=NC1=O)SC(C)CC)CC)[O-]

Isomeric SMILES

CCC[C@H](C)C1=C(N(C(=NC1=O)S[C@H](C)CC)CC)[O-]

InChI

InChI=1S/C15H26N2O2S/c1-6-9-10(4)12-13(18)16-15(20-11(5)7-2)17(8-3)14(12)19/h10-11,19H,6-9H2,1-5H3/p-1/t10-,11+/m0/s1