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

Systemtic Name: 2-[(2R)-3-azaniumyl-2-oxidanyl-propyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(2R)-3-azaniumyl-2-hydroxy-propyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-3-ammonio-2-hydroxypropyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-3-azaniumyl-2-hydroxypropyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(2R)-3-ammonio-2-hydroxy-propyl]thio]-6-propyl-pyrimidin-4-olate Formula: C10H17N3O2S MolecularWeight: 243.32588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(C[NH3+])O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SC[C@@H](C[NH3+])O)[O-]

InChI

InChI=1S/C10H17N3O2S/c1-2-3-7-4-9(15)13-10(12-7)16-6-8(14)5-11/h4,8,14H,2-3,5-6,11H2,1H3,(H,12,13,15)/t8-/m1/s1