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

Systemtic Name: 3-[6-(4-cyanophenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[6-(4-cyanophenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[6-(4-cyanophenyl)-9-purinyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[6-(4-cyanophenyl)purin-9-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[6-(4-cyanophenyl)purin-9-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C23H18N6O MolecularWeight: 394.42862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C23H18N6O/c1-14-2-5-17(23(30)28-18-8-9-18)10-19(14)29-13-27-21-20(25-12-26-22(21)29)16-6-3-15(11-24)4-7-16/h2-7,10,12-13,18H,8-9H2,1H3,(H,28,30)