1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C20H25N5O4/c1-22-17-16(18(27)23(2)20(22)28)25(19(21-17)24-10-6-7-11-24)12-14(26)13-29-15-8-4-3-5-9-15/h3-5,8-9,14,26H,6-7,10-13H2,1-2H3