4-tert-butyl-N-[5-(2-phenylazanylpyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-(2-phenylazanylpyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide Openeye Name: N-[5-(2-anilinopyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-tert-butyl-benzamide CAS Name: N-[5-(2-anilino-4-pyrimidinyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-tert-butylbenzamide IUPAC Name: N-[5-(2-anilinopyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-tert-butylbenzamide Traditional Name: N-[5-(2-anilinopyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-tert-butyl-benzamide Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC3=C2CN(C3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C26H27N7O/c1-26(2,3)18-11-9-17(10-12-18)24(34)30-23-20-15-33(16-21(20)31-32-23)22-13-14-27-25(29-22)28-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3,(H,27,28,29)(H2,30,31,32,34)