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calcium 2-azanylpteridin-4-olate pentahydrate

calcium 2-azanylpteridin-4-olate pentahydrate

Systemtic Name:calcium 2-azanylpteridin-4-olate pentahydrate
Openeye Name:calcium 2-aminopteridin-4-olate pentahydrate
CAS Name:calcium 2-amino-4-pteridinolate pentahydrate
IUPAC Name:calcium 2-aminopteridin-4-olate pentahydrate
Traditional Name:calcium 2-aminopteridin-4-olate pentahydrate
Formula: C12H18CaN10O7
MolecularWeight: 454.41212
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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-].O.O.O.O.O.[Ca+2]


Isomeric SMILES

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


InChI

InChI=1S/2C6H5N5O.Ca.5H2O/c2*7-6-10-4-3(5(12)11-6)8-1-2-9-4;;;;;;/h2*1-2H,(H3,7,9,10,11,12);;5*1H2/q;;+2;;;;;/p-2


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