2-(4-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-butylphenyl)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-butylphenyl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C22H28N6O/c1-3-4-5-17-6-8-18(9-7-17)14-20(29)27-10-12-28(13-11-27)22-19-15-25-26(2)21(19)23-16-24-22/h6-9,15-16H,3-5,10-14H2,1-2H3