7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2,5-dimethylphenyl)piperazino]-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

InChI

InChI=1S/C22H30N6O3/c1-15-5-6-16(2)18(11-15)27-9-7-26(8-10-27)12-17(29)13-28-14-23-20-19(28)21(30)25(4)22(31)24(20)3/h5-6,11,14,17,29H,7-10,12-13H2,1-4H3