2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C14H19N4O2S- MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C2=NC(=NO2)C(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C2=NC(=NO2)C(C)C)[O-]

InChI

InChI=1S/C14H20N4O2S/c1-5-6-10-7-11(19)16-14(15-10)21-9(4)13-17-12(8(2)3)18-20-13/h7-9H,5-6H2,1-4H3,(H,15,16,19)/p-1/t9-/m1/s1