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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(homoveratrylamino)-3-methyl-7-phenethyl-xanthine Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O4/c1-28-21-20(22(30)27-24(28)31)29(14-12-16-7-5-4-6-8-16)23(26-21)25-13-11-17-9-10-18(32-2)19(15-17)33-3/h4-10,15H,11-14H2,1-3H3,(H,25,26)(H,27,30,31)