N-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NCC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C21H27N5OS/c1-13(2)28-19-17(12-22-20-18(19)14(3)24-26(20)6)21(27)23-11-15-7-9-16(10-8-15)25(4)5/h7-10,12-13H,11H2,1-6H3,(H,23,27)