N-[1-[3-[6-azanyl-2-(2-hydroxyethyl)purin-9-yl]propyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[3-[6-azanyl-2-(2-hydroxyethyl)purin-9-yl]propyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[3-[6-amino-2-(2-hydroxyethyl)purin-9-yl]propyl]-4-piperidyl]benzamide CAS Name: N-[1-[3-[6-amino-2-(2-hydroxyethyl)-9-purinyl]propyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[3-[6-amino-2-(2-hydroxyethyl)purin-9-yl]propyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[3-[6-amino-2-(2-hydroxyethyl)purin-9-yl]propyl]-4-piperidyl]benzamide Formula: C22H29N7O2 MolecularWeight: 423.51136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O2/c23-20-19-21(27-18(26-20)9-14-30)29(15-24-19)11-4-10-28-12-7-17(8-13-28)25-22(31)16-5-2-1-3-6-16/h1-3,5-6,15,17,30H,4,7-14H2,(H,25,31)(H2,23,26,27)