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

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(4-chlorobenzyl)piperazino]-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C21H27ClN6O3 MolecularWeight: 446.93048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H27ClN6O3/c1-24-19-18(20(30)25(2)21(24)31)28(14-23-19)13-17(29)12-27-9-7-26(8-10-27)11-15-3-5-16(22)6-4-15/h3-6,14,17,29H,7-13H2,1-2H3