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

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

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=COC(=O)C=C3)SCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=COC(=O)C=C3)SCC

InChI

InChI=1S/C18H22N6O3S/c1-3-7-19-15-13-10-21-24(16(13)23-18(22-15)28-4-2)9-8-20-17(26)12-5-6-14(25)27-11-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,20,26)(H,19,22,23)