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calcium 3,7-dimethyl-6-oxidanylidene-purin-2-olate

calcium 3,7-dimethyl-6-oxidanylidene-purin-2-olate

Systemtic Name:calcium 3,7-dimethyl-6-oxidanylidene-purin-2-olate
Openeye Name:calcium 3,7-dimethyl-6-oxo-purin-2-olate
CAS Name:calcium 3,7-dimethyl-6-oxo-2-purinolate
IUPAC Name:calcium 3,7-dimethyl-6-oxopurin-2-olate
Traditional Name:calcium 6-keto-3,7-dimethyl-purin-2-olate
Formula: C7H7CaN4O2+
MolecularWeight: 219.23408
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N=C(N2C)[O-].[Ca+2]


Isomeric SMILES

CN1C=NC2=C1C(=O)N=C(N2C)[O-].[Ca+2]


InChI

InChI=1S/C7H8N4O2.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);/q;+2/p-1


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