N-(4-ethanoylphenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C21H25N7O2 MolecularWeight: 407.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H25N7O2/c1-15(29)16-3-5-17(6-4-16)25-19(30)7-8-27-9-11-28(12-10-27)21-18-13-24-26(2)20(18)22-14-23-21/h3-6,13-14H,7-12H2,1-2H3,(H,25,30)