1,3-dimethyl-7-[2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]purine-2,8-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[4-(phenylcarbonyl)piperazin-1-yl]propyl]purine-2,8-dione Openeye Name: 7-[3-(4-benzoylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,8-dione CAS Name: 7-[3-(4-benzoyl-1-piperazinyl)-2-hydroxypropyl]-1,3-dimethylpurine-2,8-dione IUPAC Name: 7-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,8-dione Traditional Name: 7-[3-(4-benzoylpiperazino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,8-quinone Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=NC(=O)N2CC(CN3CCN(CC3)C(=O)C4=CC=CC=C4)O)N(C1=O)C

Isomeric SMILES

CN1C=C2C(=NC(=O)N2CC(CN3CCN(CC3)C(=O)C4=CC=CC=C4)O)N(C1=O)C

InChI

InChI=1S/C21H26N6O4/c1-23-14-17-18(24(2)21(23)31)22-20(30)27(17)13-16(28)12-25-8-10-26(11-9-25)19(29)15-6-4-3-5-7-15/h3-7,14,16,28H,8-13H2,1-2H3