3-butyl-8-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(3,4-dichlorobenzyl)-methyl-amino]methyl]-7-propyl-xanthine Formula: C21H27Cl2N5O2 MolecularWeight: 452.37738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC(=C(C=C3)Cl)Cl)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC(=C(C=C3)Cl)Cl)CCC

InChI

InChI=1S/C21H27Cl2N5O2/c1-4-6-10-28-19-18(20(29)25-21(28)30)27(9-5-2)17(24-19)13-26(3)12-14-7-8-15(22)16(23)11-14/h7-8,11H,4-6,9-10,12-13H2,1-3H3,(H,25,29,30)