calcium 6-oxidanylidene-5-pentan-2-yl-5-prop-2-enyl-pyrimidine-2,4-diolate

Systemtic Name: calcium 6-oxidanylidene-5-pentan-2-yl-5-prop-2-enyl-pyrimidine-2,4-diolate Openeye Name: calcium 5-allyl-5-(1-methylbutyl)-6-oxo-pyrimidine-2,4-diolate CAS Name: calcium 6-oxo-5-pentan-2-yl-5-prop-2-enylpyrimidine-2,4-diolate IUPAC Name: calcium 6-oxo-5-pentan-2-yl-5-prop-2-enylpyrimidine-2,4-diolate Traditional Name: calcium 5-allyl-6-keto-5-(1-methylbutyl)pyrimidine-2,4-diolate Formula: C12H16CaN2O3 MolecularWeight: 276.34504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=NC(=NC1=O)[O-])[O-])CC=C.[Ca+2]

Isomeric SMILES

CCCC(C)C1(C(=NC(=NC1=O)[O-])[O-])CC=C.[Ca+2]

InChI

InChI=1S/C12H18N2O3.Ca/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+2/p-2