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

Systemtic Name: N-cyclopropyl-3-[6-(4-ethanoylpiperazin-1-yl)purin-9-yl]-4-methyl-benzamide Openeye Name: 3-[6-(4-acetylpiperazin-1-yl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(4-acetyl-1-piperazinyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(4-acetylpiperazin-1-yl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(4-acetylpiperazino)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCN(CC5)C(=O)C

InChI

InChI=1S/C22H25N7O2/c1-14-3-4-16(22(31)26-17-5-6-17)11-18(14)29-13-25-19-20(23-12-24-21(19)29)28-9-7-27(8-10-28)15(2)30/h3-4,11-13,17H,5-10H2,1-2H3,(H,26,31)