N-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]benzamide

Systemtic Name: N-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]benzamide Openeye Name: N-[4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]benzamide CAS Name: N-[4-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)phenyl]benzamide IUPAC Name: N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]benzamide Traditional Name: N-[4-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]benzamide Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=N1)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=NC=N2)N

Isomeric SMILES

CC(C)N1C2=C(C(=N1)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=NC=N2)N

InChI

InChI=1S/C21H20N6O/c1-13(2)27-20-17(19(22)23-12-24-20)18(26-27)14-8-10-16(11-9-14)25-21(28)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,25,28)(H2,22,23,24)