N-(4-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(p-tolyl)propionamide Formula: C20H25N7O MolecularWeight: 379.4588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H25N7O/c1-14-4-6-16(7-5-14)24-20(28)15(2)26-8-10-27(11-9-26)19-17-12-23-25(3)18(17)21-13-22-19/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,28)