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

Systemtic Name: 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[4-(2-chlorophenyl)-1-piperazinyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[4-(2-chlorophenyl)piperazino]propyl]-3,7-dimethyl-xanthine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H25ClN6O2/c1-23-14-22-18-17(23)19(28)27(20(29)24(18)2)9-5-8-25-10-12-26(13-11-25)16-7-4-3-6-15(16)21/h3-4,6-7,14H,5,8-13H2,1-2H3