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

Systemtic Name: N-(6-azanyl-9-prop-2-ynyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propanamide Openeye Name: N-(6-amino-9-prop-2-ynyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propanamide CAS Name: N-[6-amino-9-prop-2-ynyl-8-(1-pyrazolyl)-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-(6-amino-9-prop-2-ynyl-8-pyrazol-1-ylpurin-2-yl)-2,2-dimethylpropanamide Traditional Name: N-(6-amino-9-propargyl-8-pyrazol-1-yl-purin-2-yl)-2,2-dimethyl-propionamide Formula: C16H18N8O MolecularWeight: 338.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CC#C)N3C=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C(=N1)N)N=C(N2CC#C)N3C=CC=N3

InChI

InChI=1S/C16H18N8O/c1-5-8-23-12-10(19-15(23)24-9-6-7-18-24)11(17)20-14(21-12)22-13(25)16(2,3)4/h1,6-7,9H,8H2,2-4H3,(H3,17,20,21,22,25)