1,3-dimethyl-7-[2-oxidanyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[4-(4-isopropylbenzyl)piperazino]propyl]-1,3-dimethyl-xanthine Formula: C24H34N6O3 MolecularWeight: 454.56516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

InChI

InChI=1S/C24H34N6O3/c1-17(2)19-7-5-18(6-8-19)13-28-9-11-29(12-10-28)14-20(31)15-30-16-25-22-21(30)23(32)27(4)24(33)26(22)3/h5-8,16-17,20,31H,9-15H2,1-4H3