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

Systemtic Name: 6-cyclohexyl-4-(1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-cyclohexyl-4-(1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-cyclohexyl-4-(1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-cyclohexyl-4-(1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-cyclohexyl-4-(1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C22H28N6 MolecularWeight: 376.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCCNCC5

InChI

InChI=1S/C22H28N6/c1-3-8-17(9-4-1)20-25-21(27-14-7-12-23-13-15-27)19-16-24-28(22(19)26-20)18-10-5-2-6-11-18/h2,5-6,10-11,16-17,23H,1,3-4,7-9,12-15H2