3-methyl-8-(4-methylpiperazin-1-yl)-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(4-methyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-8-(4-methylpiperazino)xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H26N6O4/c1-23-8-10-25(11-9-23)19-21-17-16(18(28)22-20(29)24(17)2)26(19)12-14(27)13-30-15-6-4-3-5-7-15/h3-7,14,27H,8-13H2,1-2H3,(H,22,28,29)