3,7-diethyl-1-methyl-purine-2,6-dione

Systemtic Name: 3,7-diethyl-1-methyl-purine-2,6-dione Openeye Name: 3,7-diethyl-1-methyl-purine-2,6-dione CAS Name: 3,7-diethyl-1-methylpurine-2,6-dione IUPAC Name: 3,7-diethyl-1-methylpurine-2,6-dione Traditional Name: 3,7-diethyl-1-methyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)C

InChI

InChI=1S/C10H14N4O2/c1-4-13-6-11-8-7(13)9(15)12(3)10(16)14(8)5-2/h6H,4-5H2,1-3H3