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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CCC

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CCC

InChI

InChI=1S/C27H38N6O/c1-5-8-13-21(7-3)27(34)32-18-16-31(17-19-32)25-24-20(4)30-33(22-14-10-9-11-15-22)26(24)29-23(28-25)12-6-2/h9-11,14-15,21H,5-8,12-13,16-19H2,1-4H3