N-[(3,4-dichlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(3,4-dichlorobenzyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C18H18Cl2N6O MolecularWeight: 405.28112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H18Cl2N6O/c19-13-2-1-11(7-14(13)20)8-21-18(27)12-3-5-26(6-4-12)17-15-16(23-9-22-15)24-10-25-17/h1-2,7,9-10,12H,3-6,8H2,(H,21,27)(H,22,23,24,25)