N-(phenylmethyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-(phenylmethyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(phenylmethyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(7H-purin-6-yl)isonipecotamide Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O/c25-18(19-10-13-4-2-1-3-5-13)14-6-8-24(9-7-14)17-15-16(21-11-20-15)22-12-23-17/h1-5,11-12,14H,6-10H2,(H,19,25)(H,20,21,22,23)