N-cyclopropyl-3-[6-(2-ethylpiperidin-1-yl)purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-(2-ethylpiperidin-1-yl)purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(2-ethyl-1-piperidyl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(2-ethyl-1-piperidinyl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(2-ethylpiperidin-1-yl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(2-ethylpiperidino)purin-9-yl]-4-methyl-benzamide Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CCC1CCCCN1C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C23H28N6O/c1-3-18-6-4-5-11-28(18)21-20-22(25-13-24-21)29(14-26-20)19-12-16(8-7-15(19)2)23(30)27-17-9-10-17/h7-8,12-14,17-18H,3-6,9-11H2,1-2H3,(H,27,30)