8-[2-(3,4-diethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-diethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-diethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(3,4-diethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-diethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[2-(3,4-diethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCCC3=CC(=C(C=C3)OCC)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1NCCC3=CC(=C(C=C3)OCC)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H29N5O4/c1-6-26-17-18(24(4)21(28)25(5)19(17)27)23-20(26)22-12-11-14-9-10-15(29-7-2)16(13-14)30-8-3/h9-10,13H,6-8,11-12H2,1-5H3,(H,22,23)