6-pentan-2-yl-1-phenyl-4-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-pentan-2-yl-1-phenyl-4-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(1-methylbutyl)-1-phenyl-4-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 6-pentan-2-yl-1-phenyl-4-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-pentan-2-yl-1-phenyl-4-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(1-methylbutyl)-1-phenyl-4-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Formula: C27H33N7 MolecularWeight: 455.59782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC=N5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC=N5

InChI

InChI=1S/C27H33N7/c1-3-10-21(2)25-30-26(24-19-29-34(27(24)31-25)23-12-5-4-6-13-23)33-16-9-15-32(17-18-33)20-22-11-7-8-14-28-22/h4-8,11-14,19,21H,3,9-10,15-18,20H2,1-2H3