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

Systemtic Name: 1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C18H24N8O2S MolecularWeight: 416.50056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N8O2S/c1-11(2)9-20-15-12-10-21-26(16(12)23-18(22-15)29-4)8-7-19-17(28)13-5-6-14(27)25(3)24-13/h5-6,10-11H,7-9H2,1-4H3,(H,19,28)(H,20,22,23)