8-(4-butylpiperazin-1-yl)-7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(4-butylpiperazin-1-yl)-7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(4-butylpiperazin-1-yl)-7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(4-butyl-1-piperazinyl)-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-butylpiperazin-1-yl)-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-butylpiperazino)-7-(3-chlorobenzyl)-3-methyl-xanthine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H27ClN6O2/c1-3-4-8-26-9-11-27(12-10-26)20-23-18-17(19(29)24-21(30)25(18)2)28(20)14-15-6-5-7-16(22)13-15/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,24,29,30)