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calcium 6,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-2-olate

calcium 6,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-2-olate

Systemtic Name:calcium 6,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-2-olate
Openeye Name:calcium 6,8-dioxo-7,9-dihydro-3H-purin-2-olate
CAS Name:calcium 6,8-dioxo-7,9-dihydro-3H-purin-2-olate
IUPAC Name:calcium 6,8-dioxo-7,9-dihydro-3H-purin-2-olate
Traditional Name:calcium 6,8-diketo-7,9-dihydro-3H-purin-2-olate
Formula: C10H6CaN8O6
MolecularWeight: 374.28264
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Descriptors Computed from Structure

Canonical SMILES:

C12=C(NC(=O)N1)NC(=NC2=O)[O-].C12=C(NC(=O)N1)NC(=NC2=O)[O-].[Ca+2]


Isomeric SMILES

C12=C(NC(=O)N1)NC(=NC2=O)[O-].C12=C(NC(=O)N1)NC(=NC2=O)[O-].[Ca+2]


InChI

InChI=1S/2C5H4N4O3.Ca/c2*10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h2*(H4,6,7,8,9,10,11,12);/q;;+2/p-2


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