3,7-dihydropurine-2,6-dione; 1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 3,7-dihydropurine-2,6-dione; 1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 3,7-dihydropurine-2,6-dione; 1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 3,7-dihydropurine-2,6-dione; 1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 3,7-dihydropurine-2,6-dione; 1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-propyl-7H-xanthine; xanthine Formula: C13H14N8O4 MolecularWeight: 346.30146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=CN2.C1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=CN2.C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C8H10N4O2.C5H4N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14;10-4-2-3(7-1-6-2)8-5(11)9-4/h4H,2-3H2,1H3,(H,9,10)(H,11,14);1H,(H3,6,7,8,9,10,11)