calcium 2-azanylpteridin-4-olate

Systemtic Name: calcium 2-azanylpteridin-4-olate Openeye Name: calcium 2-aminopteridin-4-olate CAS Name: calcium 2-amino-4-pteridinolate IUPAC Name: calcium 2-aminopteridin-4-olate Traditional Name: calcium 2-aminopteridin-4-olate Formula: C12H8CaN10O2 MolecularWeight: 364.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)C(=NC(=N2)N)[O-].C1=CN=C2C(=N1)C(=NC(=N2)N)[O-].[Ca+2]

Isomeric SMILES

C1=CN=C2C(=N1)C(=NC(=N2)N)[O-].C1=CN=C2C(=N1)C(=NC(=N2)N)[O-].[Ca+2]

InChI

InChI=1S/2C6H5N5O.Ca/c2*7-6-10-4-3(5(12)11-6)8-1-2-9-4;/h2*1-2H,(H3,7,9,10,11,12);/q;;+2/p-2