N-[(6-azanyl-7H-purin-8-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(6-azanyl-7H-purin-8-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: N-[(6-amino-7H-purin-8-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide CAS Name: N-[(6-amino-7H-purin-8-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-amino-7H-purin-8-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-[(6-amino-7H-purin-8-yl)methyl]-1-(2,4-dichlorobenzyl)pyrrolidine-2-carboxamide Formula: C18H19Cl2N7O MolecularWeight: 420.29576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NCC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1CC(N(C1)CC2=C(C=C(C=C2)Cl)Cl)C(=O)NCC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C18H19Cl2N7O/c19-11-4-3-10(12(20)6-11)8-27-5-1-2-13(27)18(28)22-7-14-25-15-16(21)23-9-24-17(15)26-14/h3-4,6,9,13H,1-2,5,7-8H2,(H,22,28)(H3,21,23,24,25,26)