3-[2,4-bis(azanyl)-6-oxidanylidene-5H-pyrimidin-1-ium-5-yl]butan-2-olate

Systemtic Name: 3-[2,4-bis(azanyl)-6-oxidanylidene-5H-pyrimidin-1-ium-5-yl]butan-2-olate Openeye Name: 3-(2,4-diamino-6-oxo-5H-pyrimidin-1-ium-5-yl)butan-2-olate CAS Name: 3-(2,4-diamino-6-oxo-5H-pyrimidin-1-ium-5-yl)-2-butanolate IUPAC Name: 3-(2,4-diamino-6-oxo-5H-pyrimidin-1-ium-5-yl)butan-2-olate Traditional Name: 3-(2,4-diamino-6-keto-5H-pyrimidin-1-ium-5-yl)butan-2-olate Formula: C8H14N4O2 MolecularWeight: 198.22236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=NC(=[NH+]C1=O)N)N)C(C)[O-]

Isomeric SMILES

CC(C1C(=NC(=[NH+]C1=O)N)N)C(C)[O-]

InChI

InChI=1S/C8H13N4O2/c1-3(4(2)13)5-6(9)11-8(10)12-7(5)14/h3-5H,1-2H3,(H4,9,10,11,12,14)/q-1/p+1