N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide

Systemtic Name: N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide Openeye Name: N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide CAS Name: N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(2-pyrimidinylamino)methyl]benzamide IUPAC Name: N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide Traditional Name: N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(2-pyrimidylamino)methyl]benzamide Formula: C18H15N7O MolecularWeight: 345.358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCC2=CC=C(C=C2)C(=O)NC3=C4C=NNC4=NC=C3

Isomeric SMILES

C1=CN=C(N=C1)NCC2=CC=C(C=C2)C(=O)NC3=C4C=NNC4=NC=C3

InChI

InChI=1S/C18H15N7O/c26-17(24-15-6-9-19-16-14(15)11-23-25-16)13-4-2-12(3-5-13)10-22-18-20-7-1-8-21-18/h1-9,11H,10H2,(H,20,21,22)(H2,19,23,24,25,26)