1-[4-(3-azanyl-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-bromophenyl)urea

Systemtic Name: 1-[4-(3-azanyl-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-bromophenyl)urea Openeye Name: 1-[4-(3-amino-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-bromophenyl)urea CAS Name: 1-[4-(3-amino-1-methyl-4-pyrazolo[3,4-b]pyridinyl)phenyl]-3-(3-bromophenyl)urea IUPAC Name: 1-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-bromophenyl)urea Traditional Name: 1-[4-(3-amino-1-methyl-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-bromophenyl)urea Formula: C20H17BrN6O MolecularWeight: 437.29258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=CC(=C2C(=N1)N)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=NC=CC(=C2C(=N1)N)C3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H17BrN6O/c1-27-19-17(18(22)26-27)16(9-10-23-19)12-5-7-14(8-6-12)24-20(28)25-15-4-2-3-13(21)11-15/h2-11H,1H3,(H2,22,26)(H2,24,25,28)