3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(3-propan-2-ylphenyl)benzamide

Systemtic Name: 3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(3-propan-2-ylphenyl)benzamide Openeye Name: 3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]vinyl]-N-(3-isopropylphenyl)-4-methyl-benzamide CAS Name: 3-[(E)-2-[6-(cyclopropylamino)-9-purinyl]ethenyl]-4-methyl-N-(3-propan-2-ylphenyl)benzamide IUPAC Name: 3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(3-propan-2-ylphenyl)benzamide Traditional Name: 3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]vinyl]-N-m-cumenyl-4-methyl-benzamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)C)C=CN3C=NC4=C3N=CN=C4NC5CC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)C)/C=C/N3C=NC4=C3N=CN=C4NC5CC5

InChI

InChI=1S/C27H28N6O/c1-17(2)19-5-4-6-23(14-19)32-27(34)21-8-7-18(3)20(13-21)11-12-33-16-30-24-25(31-22-9-10-22)28-15-29-26(24)33/h4-8,11-17,22H,9-10H2,1-3H3,(H,32,34)(H,28,29,31)/b12-11+