1,3-diethyl-9-methyl-purine-2,6-dione

Systemtic Name: 1,3-diethyl-9-methyl-purine-2,6-dione Openeye Name: 1,3-diethyl-9-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-9-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-9-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-9-methyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N=CN2C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N=CN2C

InChI

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