azane; 1-methyl-3,7-dihydropurine-2,6-dione

Systemtic Name: azane; 1-methyl-3,7-dihydropurine-2,6-dione Openeye Name: ammonia; 1-methyl-3,7-dihydropurine-2,6-dione CAS Name: ammonia; 1-methyl-3,7-dihydropurine-2,6-dione IUPAC Name: azane; 1-methyl-3,7-dihydropurine-2,6-dione Traditional Name: ammonia; 1-methyl-7H-xanthine Formula: C6H9N5O2 MolecularWeight: 183.16796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=CN2.N

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=CN2.N

InChI

InChI=1S/C6H6N4O2.H3N/c1-10-5(11)3-4(8-2-7-3)9-6(10)12;/h2H,1H3,(H,7,8)(H,9,12);1H3