4-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-isobutyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-isobutyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C23H32N6 MolecularWeight: 392.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC(C)C

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC(C)C

InChI

InChI=1S/C23H32N6/c1-4-9-21-25-22(28-13-8-12-27(14-15-28)17-18(2)3)20-16-24-29(23(20)26-21)19-10-6-5-7-11-19/h5-7,10-11,16,18H,4,8-9,12-15,17H2,1-3H3