2-[[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]phenol

Systemtic Name: 2-[[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]phenol Openeye Name: 2-[[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]phenol CAS Name: 2-[[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methyl]phenol IUPAC Name: 2-[[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]phenol Traditional Name: 2-[[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]phenol Formula: C26H30N6O MolecularWeight: 442.556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC=C5O

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC=C5O

InChI

InChI=1S/C26H30N6O/c1-2-9-24-28-25(22-18-27-32(26(22)29-24)21-11-4-3-5-12-21)31-15-8-14-30(16-17-31)19-20-10-6-7-13-23(20)33/h3-7,10-13,18,33H,2,8-9,14-17,19H2,1H3