7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-ethoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-8-ethoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(3-chlorophenyl)piperazino]butyl]-8-ethoxy-1,3-dimethyl-xanthine Formula: C23H31ClN6O3 MolecularWeight: 474.98364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC1=NC2=C(N1CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H31ClN6O3/c1-4-33-22-25-20-19(21(31)27(3)23(32)26(20)2)30(22)11-6-5-10-28-12-14-29(15-13-28)18-9-7-8-17(24)16-18/h7-9,16H,4-6,10-15H2,1-3H3