N-heptyl-1-(7H-purin-6-yl)piperidine-3-carboxamide

Systemtic Name: N-heptyl-1-(7H-purin-6-yl)piperidine-3-carboxamide Openeye Name: N-heptyl-1-(7H-purin-6-yl)piperidine-3-carboxamide CAS Name: N-heptyl-1-(7H-purin-6-yl)-3-piperidinecarboxamide IUPAC Name: N-heptyl-1-(7H-purin-6-yl)piperidine-3-carboxamide Traditional Name: N-heptyl-1-(7H-purin-6-yl)nipecotamide Formula: C18H28N6O MolecularWeight: 344.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1CCCN(C1)C2=NC=NC3=C2NC=N3

Isomeric SMILES

CCCCCCCNC(=O)C1CCCN(C1)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C18H28N6O/c1-2-3-4-5-6-9-19-18(25)14-8-7-10-24(11-14)17-15-16(21-12-20-15)22-13-23-17/h12-14H,2-11H2,1H3,(H,19,25)(H,20,21,22,23)