N-[6-azanyl-8-pyrazol-1-yl-9-(3-pyridin-4-ylpropyl)purin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-azanyl-8-pyrazol-1-yl-9-(3-pyridin-4-ylpropyl)purin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-amino-8-pyrazol-1-yl-9-[3-(4-pyridyl)propyl]purin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-amino-8-(1-pyrazolyl)-9-(3-pyridin-4-ylpropyl)-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-amino-8-pyrazol-1-yl-9-(3-pyridin-4-ylpropyl)purin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-amino-8-pyrazol-1-yl-9-[3-(4-pyridyl)propyl]purin-2-yl]-2,2-dimethyl-propionamide Formula: C21H25N9O MolecularWeight: 419.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CCCC3=CC=NC=C3)N4C=CC=N4

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CCCC3=CC=NC=C3)N4C=CC=N4

InChI

InChI=1S/C21H25N9O/c1-21(2,3)18(31)28-19-26-16(22)15-17(27-19)29(20(25-15)30-13-5-9-24-30)12-4-6-14-7-10-23-11-8-14/h5,7-11,13H,4,6,12H2,1-3H3,(H3,22,26,27,28,31)