2-(3-methylbutylsulfanyl)-5-(2-methylpropyl)-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-(3-methylbutylsulfanyl)-5-(2-methylpropyl)-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-isobutyl-2-isopentylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(3-methylbutylthio)-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-(3-methylbutylsulfanyl)-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-(isoamylthio)-5-isobutyl-6-keto-1H-pyrimidin-4-olate Formula: C13H21N2O2S- MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=C(C(=O)N1)CC(C)C)[O-]

Isomeric SMILES

CC(C)CCSC1=NC(=C(C(=O)N1)CC(C)C)[O-]

InChI

InChI=1S/C13H22N2O2S/c1-8(2)5-6-18-13-14-11(16)10(7-9(3)4)12(17)15-13/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)/p-1