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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(homoveratrylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C25H29N5O6 MolecularWeight: 495.52766

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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)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C25H29N5O6/c1-29-22-21(23(32)28-25(29)33)30(14-17(31)15-36-18-7-5-4-6-8-18)24(27-22)26-12-11-16-9-10-19(34-2)20(13-16)35-3/h4-10,13,17,31H,11-12,14-15H2,1-3H3,(H,26,27)(H,28,32,33)