calcium; 2-azanylpteridin-4-olate; 2-azanyl-1H-pteridin-4-one

Systemtic Name: calcium; 2-azanylpteridin-4-olate; 2-azanyl-1H-pteridin-4-one Openeye Name: calcium; 2-aminopteridin-4-olate; 2-amino-1H-pteridin-4-one CAS Name: calcium; 2-amino-4-pteridinolate; 2-amino-1H-pteridin-4-one IUPAC Name: calcium; 2-aminopteridin-4-olate; 2-amino-1H-pteridin-4-one Traditional Name: calcium; 2-aminopteridin-4-olate; 2-amino-1H-pteridin-4-one Formula: C24H18CaN20O4 MolecularWeight: 690.60932

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