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

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

Systemtic Name:calcium 2-azanyl-1H-pteridin-4-one dichloride
Openeye Name:calcium 2-amino-1H-pteridin-4-one dichloride
CAS Name:calcium 2-amino-1H-pteridin-4-one dichloride
IUPAC Name:calcium 2-amino-1H-pteridin-4-one dichloride
Traditional Name:calcium 2-amino-1H-pteridin-4-one dichloride
Formula: C24H20CaCl2N20O4
MolecularWeight: 763.5312
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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.[Cl-].[Cl-].[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.[Cl-].[Cl-].[Ca+2]


InChI

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


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