1-methyl-3-(2-methylpropyl)-7-[2-oxidanyl-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-[2-oxidanyl-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-(3-phenoxypropyl)-1-piperazinyl]propyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-(3-phenoxypropyl)piperazino]propyl]-3-isobutyl-1-methyl-xanthine Formula: C26H38N6O4 MolecularWeight: 498.61772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCOC4=CC=CC=C4)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCCOC4=CC=CC=C4)O

InChI

InChI=1S/C26H38N6O4/c1-20(2)16-32-24-23(25(34)28(3)26(32)35)31(19-27-24)18-21(33)17-30-13-11-29(12-14-30)10-7-15-36-22-8-5-4-6-9-22/h4-6,8-9,19-21,33H,7,10-18H2,1-3H3