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

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-3-phenoxy-propyl)-8-(4-propylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-propyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-(4-propylpiperazino)xanthine Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H32N6O4/c1-4-10-27-11-13-28(14-12-27)22-24-20-19(21(31)26(3)23(32)25(20)2)29(22)15-17(30)16-33-18-8-6-5-7-9-18/h5-9,17,30H,4,10-16H2,1-3H3