1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: 1-(2,4-dichlorobenzyl)-N-(7H-purin-8-ylmethyl)pyrrolidine-2-carboxamide Formula: C18H18Cl2N6O MolecularWeight: 405.28112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NCC3=NC4=NC=NC=C4N3

Isomeric SMILES

C1CC(N(C1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NCC3=NC4=NC=NC=C4N3

InChI

InChI=1S/C18H18Cl2N6O/c19-12-4-3-11(13(20)6-12)9-26-5-1-2-15(26)18(27)22-8-16-24-14-7-21-10-23-17(14)25-16/h3-4,6-7,10,15H,1-2,5,8-9H2,(H,22,27)(H,21,23,24,25)