(E)-N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[1-(3-adenin-9-ylpropyl)-4-piperidyl]-3-phenyl-acrylamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C=CC2=CC=CC=C2)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O/c23-21-20-22(25-15-24-21)29(16-26-20)12-4-11-28-13-9-18(10-14-28)27-19(30)8-7-17-5-2-1-3-6-17/h1-3,5-8,15-16,18H,4,9-14H2,(H,27,30)(H2,23,24,25)/b8-7+