3-[6-[2-cyanoethyl(ethyl)amino]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[6-[2-cyanoethyl(ethyl)amino]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-[2-cyanoethyl(ethyl)amino]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-[2-cyanoethyl(ethyl)amino]-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-[2-cyanoethyl(ethyl)amino]purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-[2-cyanoethyl(ethyl)amino]purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C21H23N7O MolecularWeight: 389.45362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=NC=NC2=C1N=CN2C3=C(C=CC(=C3)C(=O)NC4CC4)C

Isomeric SMILES

CCN(CCC#N)C1=NC=NC2=C1N=CN2C3=C(C=CC(=C3)C(=O)NC4CC4)C

InChI

InChI=1S/C21H23N7O/c1-3-27(10-4-9-22)19-18-20(24-12-23-19)28(13-25-18)17-11-15(6-5-14(17)2)21(29)26-16-7-8-16/h5-6,11-13,16H,3-4,7-8,10H2,1-2H3,(H,26,29)