3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C22H30N6O4/c1-15(2)32-14-17(29)13-28-18-19(25(3)22(31)24-20(18)30)23-21(28)27-11-9-26(10-12-27)16-7-5-4-6-8-16/h4-8,15,17,29H,9-14H2,1-3H3,(H,24,30,31)