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

Systemtic Name: N-cyclopropyl-3-[9-[3-(cyclopropylcarbamoyl)phenyl]purin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[9-[3-(cyclopropylcarbamoyl)phenyl]purin-6-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[9-[3-[(cyclopropylamino)-oxomethyl]phenyl]-6-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[9-[3-(cyclopropylcarbamoyl)phenyl]purin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[9-[3-(cyclopropylcarbamoyl)phenyl]purin-6-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)C3=C4C(=NC=N3)N(C=N4)C5=CC=CC(=C5)C(=O)NC6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C4C(=NC=N3)N(C=N4)C5=CC=CC(=C5)C(=O)NC6CC6

InChI

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