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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-pyran-3-carboxamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyrancarboxamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxopyran-3-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-pyran-3-carboxamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-11(2)8-20-15-13-9-21-24(16(13)23-18(22-15)28-3)7-6-19-17(26)12-4-5-14(25)27-10-12/h4-5,9-11H,6-8H2,1-3H3,(H,19,26)(H,20,22,23)