N-(4-butan-2-ylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(4-sec-butylphenyl)acetamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C22H29N7O/c1-4-16(2)17-5-7-18(8-6-17)26-20(30)14-28-9-11-29(12-10-28)22-19-13-25-27(3)21(19)23-15-24-22/h5-8,13,15-16H,4,9-12,14H2,1-3H3,(H,26,30)