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

Systemtic Name: 2-[(2R)-butan-2-yl]sulfanyl-3-cyclohexyl-5-ethyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclohexyl-5-ethyl-2-[(1R)-1-methylpropyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[(2R)-butan-2-yl]thio]-3-cyclohexyl-5-ethyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(2R)-butan-2-yl]sulfanyl-3-cyclohexyl-5-ethyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclohexyl-5-ethyl-6-keto-2-[[(1R)-1-methylpropyl]thio]pyrimidin-4-olate Formula: C16H25N2O2S- MolecularWeight: 309.4469

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SC(C)CC)C2CCCCC2)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)S[C@H](C)CC)C2CCCCC2)[O-]

InChI

InChI=1S/C16H26N2O2S/c1-4-11(3)21-16-17-14(19)13(5-2)15(20)18(16)12-9-7-6-8-10-12/h11-12,20H,4-10H2,1-3H3/p-1/t11-/m1/s1