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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(homoveratrylamino)-1,3,7-trimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCC3=CC(=C(C=C3)OC)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H23N5O4/c1-21-14-15(22(2)18(25)23(3)16(14)24)20-17(21)19-9-8-11-6-7-12(26-4)13(10-11)27-5/h6-7,10H,8-9H2,1-5H3,(H,19,20)