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

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-(3-pyridyl)propan-1-one Formula: C18H21N7O MolecularWeight: 351.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C18H21N7O/c1-23-17-15(12-22-23)18(21-13-20-17)25-9-7-24(8-10-25)16(26)5-4-14-3-2-6-19-11-14/h2-3,6,11-13H,4-5,7-10H2,1H3