6-(azepan-1-yl)-1-phenyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-1-phenyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-1-phenyl-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-benzyl-amine Formula: C24H26N6 MolecularWeight: 398.50344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NCC5=CC=CC=C5

InChI

InChI=1S/C24H26N6/c1-2-10-16-29(15-9-1)24-27-22(25-17-19-11-5-3-6-12-19)21-18-26-30(23(21)28-24)20-13-7-4-8-14-20/h3-8,11-14,18H,1-2,9-10,15-17H2,(H,25,27,28)