1,3,4-trimethyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1,3,4-trimethyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1,3,4-trimethyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1,3,4-trimethyl-5-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1,3,4-trimethyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 5-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-1,3,4-trimethyl-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C20H25N7O2 MolecularWeight: 395.4582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N7O2/c1-13-15(19(29)23-18-17(13)14(2)24-25(18)3)5-6-16(28)26-9-11-27(12-10-26)20-21-7-4-8-22-20/h4,7-8,24H,5-6,9-12H2,1-3H3