2-[(2R)-3-(methylazaniumyl)-2-oxidanyl-propyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-3-(methylazaniumyl)-2-oxidanyl-propyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(2R)-2-hydroxy-3-(methylammonio)propyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-2-hydroxy-3-(methylammonio)propyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-2-hydroxy-3-(methylazaniumyl)propyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(2R)-2-hydroxy-3-(methylammonio)propyl]thio]-6-propyl-pyrimidin-4-olate Formula: C11H19N3O2S MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(C[NH2+]C)O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC[C@@H](C[NH2+]C)O)[O-]

InChI

InChI=1S/C11H19N3O2S/c1-3-4-8-5-10(16)14-11(13-8)17-7-9(15)6-12-2/h5,9,12,15H,3-4,6-7H2,1-2H3,(H,13,14,16)/t9-/m1/s1