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

Systemtic Name: N-[(4-methylphenyl)methyl]-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-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-methylbenzyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O/c1-15-4-6-17(7-5-15)12-22-21(29)16(2)27-8-10-28(11-9-27)20-18-13-25-26(3)19(18)23-14-24-20/h4-7,13-14,16H,8-12H2,1-3H3,(H,22,29)