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

Systemtic Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone CAS Name: [4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-[3-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(3-pyrrol-1-ylphenyl)methanone Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O/c1-25-19-18(14-24-25)20(23-15-22-19)27-9-11-28(12-10-27)21(29)16-5-4-6-17(13-16)26-7-2-3-8-26/h2-8,13-15H,9-12H2,1H3