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calcium 2-azanyl-1H-pteridin-4-one

calcium 2-azanyl-1H-pteridin-4-one

Systemtic Name:calcium 2-azanyl-1H-pteridin-4-one
Openeye Name:calcium 2-amino-1H-pteridin-4-one
CAS Name:calcium 2-amino-1H-pteridin-4-one
IUPAC Name:calcium 2-amino-1H-pteridin-4-one
Traditional Name:calcium 2-amino-1H-pteridin-4-one
Formula: C24H20CaN20O4+2
MolecularWeight: 692.6252
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/4C6H5N5O.Ca/c4*7-6-10-4-3(5(12)11-6)8-1-2-9-4;/h4*1-2H,(H3,7,9,10,11,12);/q;;;;+2


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