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

Systemtic Name: 1-methyl-8-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-methyl-8-propyl-3,7-dihydropurine-2,6-dione CAS Name: 1-methyl-8-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-methyl-8-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-methyl-8-propyl-7H-xanthine Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1)C(=O)N(C(=O)N2)C

Isomeric SMILES

CCCC1=NC2=C(N1)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C9H12N4O2/c1-3-4-5-10-6-7(11-5)12-9(15)13(2)8(6)14/h3-4H2,1-2H3,(H,10,11)(H,12,15)