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

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-[4-(1-pyrrolyl)phenyl]ethanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(4-pyrrol-1-ylphenyl)ethanone Formula: C22H23N7O MolecularWeight: 401.46432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C22H23N7O/c1-26-21-19(15-25-26)22(24-16-23-21)29-12-10-28(11-13-29)20(30)14-17-4-6-18(7-5-17)27-8-2-3-9-27/h2-9,15-16H,10-14H2,1H3