8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[4-(3,4-dichlorobenzyl)piperazino]-3-methyl-xanthine Formula: C22H28Cl2N6O2 MolecularWeight: 479.40272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H28Cl2N6O2/c1-3-4-5-8-30-18-19(27(2)22(32)26-20(18)31)25-21(30)29-11-9-28(10-12-29)14-15-6-7-16(23)17(24)13-15/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,26,31,32)