1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-phenyl-butan-1-one Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O/c1-3-16(15-7-5-4-6-8-15)20(27)26-11-9-25(10-12-26)19-17-13-23-24(2)18(17)21-14-22-19/h4-8,13-14,16H,3,9-12H2,1-2H3