3,7-dihydropurine-2,6-dione; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3,7-dihydropurine-2,6-dione; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3,7-dihydropurine-2,6-dione; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3,7-dihydropurine-2,6-dione; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3,7-dihydropurine-2,6-dione; 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one; xanthine Formula: C10H8N8O3 MolecularWeight: 288.22232

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=NC2=O)NN1.C1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

C1=C2C(=NC=NC2=O)NN1.C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C5H4N4O2.C5H4N4O/c10-4-2-3(7-1-6-2)8-5(11)9-4;10-5-3-1-8-9-4(3)6-2-7-5/h1H,(H3,6,7,8,9,10,11);1-2H,(H2,6,7,8,9,10)