3-(4-tert-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-1-one Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C23H30N6O/c1-23(2,3)18-8-5-17(6-9-18)7-10-20(30)28-11-13-29(14-12-28)22-19-15-26-27(4)21(19)24-16-25-22/h5-6,8-9,15-16H,7,10-14H2,1-4H3