2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxidanylidene-pyrazolo[3,4-d]pyrimidin-2-yl]-N-[5-(dimethylamino)pentyl]ethanamide

Systemtic Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxidanylidene-pyrazolo[3,4-d]pyrimidin-2-yl]-N-[5-(dimethylamino)pentyl]ethanamide Openeye Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxo-pyrazolo[3,4-d]pyrimidin-2-yl]-N-[5-(dimethylamino)pentyl]acetamide CAS Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxo-2-pyrazolo[3,4-d]pyrimidinyl]-N-[5-(dimethylamino)pentyl]acetamide IUPAC Name: 2-[6-cyano-1-(2,2-dimethylpropyl)-3-oxopyrazolo[3,4-d]pyrimidin-2-yl]-N-[5-(dimethylamino)pentyl]acetamide Traditional Name: 2-(6-cyano-3-keto-1-neopentyl-pyrazolo[3,4-d]pyrimidin-2-yl)-N-[5-(dimethylamino)pentyl]acetamide Formula: C20H31N7O2 MolecularWeight: 401.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC(=O)NCCCCCN(C)C)C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2C(=O)N1CC(=O)NCCCCCN(C)C)C#N

InChI

InChI=1S/C20H31N7O2/c1-20(2,3)14-27-18-15(12-23-16(11-21)24-18)19(29)26(27)13-17(28)22-9-7-6-8-10-25(4)5/h12H,6-10,13-14H2,1-5H3,(H,22,28)