2,2-dimethyl-1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C26H36N6O MolecularWeight: 448.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C(C)(C)C

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C(C)(C)C

InChI

InChI=1S/C26H36N6O/c1-6-11-19(2)22-28-23(30-14-10-15-31(17-16-30)25(33)26(3,4)5)21-18-27-32(24(21)29-22)20-12-8-7-9-13-20/h7-9,12-13,18-19H,6,10-11,14-17H2,1-5H3