N-[6-azanyl-9-[(E)-hept-4-enyl]-8-pyrazol-1-yl-purin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-azanyl-9-[(E)-hept-4-enyl]-8-pyrazol-1-yl-purin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-amino-9-[(E)-hept-4-enyl]-8-pyrazol-1-yl-purin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-amino-9-[(E)-hept-4-enyl]-8-(1-pyrazolyl)-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-amino-9-[(E)-hept-4-enyl]-8-pyrazol-1-ylpurin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-amino-9-[(E)-hept-4-enyl]-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:

CCC=CCCCN1C2=C(C(=NC(=N2)NC(=O)C(C)(C)C)N)N=C1N3C=CC=N3

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)NC(=O)C(C)(C)C)N)N=C1N3C=CC=N3

InChI

InChI=1S/C20H28N8O/c1-5-6-7-8-9-12-27-16-14(23-19(27)28-13-10-11-22-28)15(21)24-18(25-16)26-17(29)20(2,3)4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H3,21,24,25,26,29)/b7-6+