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

Systemtic Name: N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-(4-ethyl-1-piperazinyl)-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-(4-ethylpiperazino)purin-9-yl]-4-methyl-benzamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C22H27N7O/c1-3-27-8-10-28(11-9-27)20-19-21(24-13-23-20)29(14-25-19)18-12-16(5-4-15(18)2)22(30)26-17-6-7-17/h4-5,12-14,17H,3,6-11H2,1-2H3,(H,26,30)