N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-cyano-benzamide

Systemtic Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-cyano-benzamide Openeye Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]-4-cyano-benzamide CAS Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]-4-cyanobenzamide IUPAC Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-cyanobenzamide Traditional Name: N-[1-(3-adenin-9-ylpropyl)-4-piperidyl]-4-cyano-benzamide Formula: C21H24N8O MolecularWeight: 404.46826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=C(C=C2)C#N)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)C#N)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C21H24N8O/c22-12-15-2-4-16(5-3-15)21(30)27-17-6-10-28(11-7-17)8-1-9-29-14-26-18-19(23)24-13-25-20(18)29/h2-5,13-14,17H,1,6-11H2,(H,27,30)(H2,23,24,25)