2-(4-bromophenyl)-N-[(1,3-dimethyl-6-thiophen-3-yl-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine

Systemtic Name: 2-(4-bromophenyl)-N-[(1,3-dimethyl-6-thiophen-3-yl-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine Openeye Name: 2-(4-bromophenyl)-N-[[1,3-dimethyl-6-(3-thienyl)pyrazolo[3,4-b]pyridin-5-yl]methyl]ethanamine CAS Name: 2-(4-bromophenyl)-N-[[1,3-dimethyl-6-(3-thiophenyl)-5-pyrazolo[3,4-b]pyridinyl]methyl]ethanamine IUPAC Name: 2-(4-bromophenyl)-N-[(1,3-dimethyl-6-thiophen-3-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine Traditional Name: 2-(4-bromophenyl)ethyl-[[1,3-dimethyl-6-(3-thienyl)pyrazolo[3,4-b]pyridin-5-yl]methyl]amine Formula: C21H21BrN4S MolecularWeight: 441.38724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=C(C=C12)CNCCC3=CC=C(C=C3)Br)C4=CSC=C4)C

Isomeric SMILES

CC1=NN(C2=NC(=C(C=C12)CNCCC3=CC=C(C=C3)Br)C4=CSC=C4)C

InChI

InChI=1S/C21H21BrN4S/c1-14-19-11-17(12-23-9-7-15-3-5-18(22)6-4-15)20(16-8-10-27-13-16)24-21(19)26(2)25-14/h3-6,8,10-11,13,23H,7,9,12H2,1-2H3