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

Systemtic Name: N-cyclopropyl-3-[6-[3-(cyclopropylcarbamoyl)phenyl]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[3-(cyclopropylcarbamoyl)phenyl]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[3-[(cyclopropylamino)-oxomethyl]phenyl]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[3-(cyclopropylcarbamoyl)phenyl]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[3-(cyclopropylcarbamoyl)phenyl]purin-9-yl]-4-methyl-benzamide Formula: C26H24N6O2 MolecularWeight: 452.50776

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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(=CC=C5)C(=O)NC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC(=CC=C5)C(=O)NC6CC6

InChI

InChI=1S/C26H24N6O2/c1-15-5-6-18(26(34)31-20-9-10-20)12-21(15)32-14-29-23-22(27-13-28-24(23)32)16-3-2-4-17(11-16)25(33)30-19-7-8-19/h2-6,11-14,19-20H,7-10H2,1H3,(H,30,33)(H,31,34)