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

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylcarbamoyl)phenyl]purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylcarbamoyl)phenyl]purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylcarbamoyl)phenyl]-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylcarbamoyl)phenyl]purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-[4-(methylcarbamoyl)phenyl]purin-9-yl]benzamide Formula: C24H22N6O2 MolecularWeight: 426.47048

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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(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O2/c1-14-3-4-17(24(32)29-18-9-10-18)11-19(14)30-13-28-21-20(26-12-27-22(21)30)15-5-7-16(8-6-15)23(31)25-2/h3-8,11-13,18H,9-10H2,1-2H3,(H,25,31)(H,29,32)