1,3-dimethyl-7-(3-phenoxypropyl)-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-phenoxypropyl)-8-pyrrolidino-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3/c1-22-17-16(18(26)23(2)20(22)27)25(19(21-17)24-11-6-7-12-24)13-8-14-28-15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3