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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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