1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-2-oxo-pyridine-3-carboxamide CAS Name: 1-methyl-N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxopyridine-3-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-1-methyl-nicotinamide Formula: C19H25N7O2S MolecularWeight: 415.5125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CN(C3=O)C)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CN(C3=O)C)SC

InChI

InChI=1S/C19H25N7O2S/c1-12(2)10-21-15-14-11-22-26(16(14)24-19(23-15)29-4)9-7-20-17(27)13-6-5-8-25(3)18(13)28/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,20,27)(H,21,23,24)