7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-pyrrolidino-xanthine Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COC4=CC=C(C=C4)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C20H25N5O5/c1-23-17-16(18(27)22-20(23)28)25(19(21-17)24-9-3-4-10-24)11-13(26)12-30-15-7-5-14(29-2)6-8-15/h5-8,13,26H,3-4,9-12H2,1-2H3,(H,22,27,28)