8-[[[2,3-bis(chloranyl)phenyl]methyl-methyl-amino]methyl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[[[2,3-bis(chloranyl)phenyl]methyl-methyl-amino]methyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[(2,3-dichlorophenyl)methyl-methyl-amino]methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(2,3-dichlorobenzyl)-methyl-amino]methyl]-7-ethyl-xanthine Formula: C20H25Cl2N5O2 MolecularWeight: 438.3508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25Cl2N5O2/c1-4-6-10-27-18-17(19(28)24-20(27)29)26(5-2)15(23-18)12-25(3)11-13-8-7-9-14(21)16(13)22/h7-9H,4-6,10-12H2,1-3H3,(H,24,28,29)