1,8-dimethyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1,8-dimethyl-3,7-dihydropurine-2,6-dione Openeye Name: 1,8-dimethyl-3,7-dihydropurine-2,6-dione CAS Name: 1,8-dimethyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1,8-dimethyl-3,7-dihydropurine-2,6-dione Traditional Name: 1,8-dimethyl-7H-xanthine Formula: C7H8N4O2 MolecularWeight: 180.16402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C7H8N4O2/c1-3-8-4-5(9-3)10-7(13)11(2)6(4)12/h1-2H3,(H,8,9)(H,10,13)