N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-benzamide

Systemtic Name: N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-benzamide Openeye Name: N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]vinyl]-4-methyl-benzamide CAS Name: N-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-[(E)-2-[6-(cyclopropylamino)-9-purinyl]ethenyl]-4-methylbenzamide IUPAC Name: N-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methylbenzamide Traditional Name: N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]vinyl]-4-methyl-benzamide Formula: C26H30N8O MolecularWeight: 470.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C)C(C)(C)C)C=CN3C=NC4=C3N=CN=C4NC5CC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C)C(C)(C)C)/C=C/N3C=NC4=C3N=CN=C4NC5CC5

InChI

InChI=1S/C26H30N8O/c1-16-6-7-18(25(35)31-21-13-20(26(2,3)4)32-33(21)5)12-17(16)10-11-34-15-29-22-23(30-19-8-9-19)27-14-28-24(22)34/h6-7,10-15,19H,8-9H2,1-5H3,(H,31,35)(H,27,28,30)/b11-10+