N-(2-ethyl-6-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)C

InChI

InChI=1S/C21H27N7O/c1-4-16-7-5-6-15(2)19(16)25-18(29)13-27-8-10-28(11-9-27)21-17-12-24-26(3)20(17)22-14-23-21/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,25,29)