N-[9-ethyl-8-(4-methylpyrazol-1-yl)-2-[(phenylmethyl)amino]purin-6-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[9-ethyl-8-(4-methylpyrazol-1-yl)-2-[(phenylmethyl)amino]purin-6-yl]-2,2-dimethyl-propanamide Openeye Name: N-[2-(benzylamino)-9-ethyl-8-(4-methylpyrazol-1-yl)purin-6-yl]-2,2-dimethyl-propanamide CAS Name: N-[9-ethyl-8-(4-methyl-1-pyrazolyl)-2-[(phenylmethyl)amino]-6-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-(benzylamino)-9-ethyl-8-(4-methylpyrazol-1-yl)purin-6-yl]-2,2-dimethylpropanamide Traditional Name: N-[2-(benzylamino)-9-ethyl-8-(4-methylpyrazol-1-yl)purin-6-yl]-2,2-dimethyl-propionamide Formula: C23H28N8O MolecularWeight: 432.52142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)NC(=O)C(C)(C)C)N=C1N4C=C(C=N4)C

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)NC(=O)C(C)(C)C)N=C1N4C=C(C=N4)C

InChI

InChI=1S/C23H28N8O/c1-6-30-19-17(26-22(30)31-14-15(2)12-25-31)18(27-20(32)23(3,4)5)28-21(29-19)24-13-16-10-8-7-9-11-16/h7-12,14H,6,13H2,1-5H3,(H2,24,27,28,29,32)