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

Systemtic Name: N-cyclopropyl-3-[6-[2-(dimethylaminomethyl)piperidin-1-yl]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[2-(dimethylaminomethyl)-1-piperidyl]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[2-(dimethylaminomethyl)-1-piperidinyl]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[2-(dimethylaminomethyl)piperidin-1-yl]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[2-(dimethylaminomethyl)piperidino]purin-9-yl]-4-methyl-benzamide Formula: C24H31N7O MolecularWeight: 433.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCCC5CN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCCC5CN(C)C

InChI

InChI=1S/C24H31N7O/c1-16-7-8-17(24(32)28-18-9-10-18)12-20(16)31-15-27-21-22(25-14-26-23(21)31)30-11-5-4-6-19(30)13-29(2)3/h7-8,12,14-15,18-19H,4-6,9-11,13H2,1-3H3,(H,28,32)