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

Systemtic Name: N-[6-azanyl-9-(cyclohexylmethyl)-8-pyrazol-1-yl-purin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-amino-9-(cyclohexylmethyl)-8-pyrazol-1-yl-purin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-amino-9-(cyclohexylmethyl)-8-(1-pyrazolyl)-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-amino-9-(cyclohexylmethyl)-8-pyrazol-1-ylpurin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-amino-9-(cyclohexylmethyl)-8-pyrazol-1-yl-purin-2-yl]-2,2-dimethyl-propionamide Formula: C20H28N8O MolecularWeight: 396.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CC3CCCCC3)N4C=CC=N4

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CC3CCCCC3)N4C=CC=N4

InChI

InChI=1S/C20H28N8O/c1-20(2,3)17(29)26-18-24-15(21)14-16(25-18)27(12-13-8-5-4-6-9-13)19(23-14)28-11-7-10-22-28/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H3,21,24,25,26,29)