N-(6-azanyl-9-phenethyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propanamide

Systemtic Name: N-(6-azanyl-9-phenethyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propanamide Openeye Name: N-(6-amino-9-phenethyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propanamide CAS Name: N-[6-amino-9-phenethyl-8-(1-pyrazolyl)-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-(6-amino-9-phenethyl-8-pyrazol-1-ylpurin-2-yl)-2,2-dimethylpropanamide Traditional Name: N-(6-amino-9-phenethyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propionamide Formula: C21H24N8O MolecularWeight: 404.46826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CCC3=CC=CC=C3)N4C=CC=N4

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CCC3=CC=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H24N8O/c1-21(2,3)18(30)27-19-25-16(22)15-17(26-19)28(13-10-14-8-5-4-6-9-14)20(24-15)29-12-7-11-23-29/h4-9,11-12H,10,13H2,1-3H3,(H3,22,25,26,27,30)