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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-(homoveratrylamino)-1,3-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-6-24-15-16(22(2)19(26)23(3)17(15)25)21-18(24)20-10-9-12-7-8-13(27-4)14(11-12)28-5/h7-8,11H,6,9-10H2,1-5H3,(H,20,21)