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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(C)CCC

Isomeric SMILES

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(C)CCC

InChI

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