8-butyl-1-methyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-butyl-1-methyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-butyl-1-methyl-3,7-dihydropurine-2,6-dione CAS Name: 8-butyl-1-methyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-butyl-1-methyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-butyl-1-methyl-7H-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2)C

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C10H14N4O2/c1-3-4-5-6-11-7-8(12-6)13-10(16)14(2)9(7)15/h3-5H2,1-2H3,(H,11,12)(H,13,16)