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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-pyran-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyrancarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxopyran-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-pyran-3-carboxamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=COC(=O)C=C3)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=COC(=O)C=C3)C(=N1)NCC(C)C

InChI

InChI=1S/C19H24N6O3S/c1-4-29-19-23-16(21-9-12(2)3)14-10-22-25(17(14)24-19)8-7-20-18(27)13-5-6-15(26)28-11-13/h5-6,10-12H,4,7-9H2,1-3H3,(H,20,27)(H,21,23,24)