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1H-pteridine-2,4-dione hydrate

1H-pteridine-2,4-dione hydrate

Systemtic Name:1H-pteridine-2,4-dione hydrate
Openeye Name:1H-pteridine-2,4-dione hydrate
CAS Name:1H-pteridine-2,4-dione hydrate
IUPAC Name:1H-pteridine-2,4-dione hydrate
Traditional Name:1H-pteridine-2,4-quinone hydrate
Formula: C6H6N4O3
MolecularWeight: 182.13684
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)C(=O)NC(=O)N2.O


Isomeric SMILES

C1=CN=C2C(=N1)C(=O)NC(=O)N2.O


InChI

InChI=1S/C6H4N4O2.H2O/c11-5-3-4(8-2-1-7-3)9-6(12)10-5;/h1-2H,(H2,8,9,10,11,12);1H2


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