2-ethyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Formula: C27H38N6O MolecularWeight: 462.63022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

InChI

InChI=1S/C27H38N6O/c1-4-7-13-21(6-3)27(34)32-17-11-16-31(18-19-32)25-23-20-28-33(22-14-9-8-10-15-22)26(23)30-24(29-25)12-5-2/h8-10,14-15,20-21H,4-7,11-13,16-19H2,1-3H3