N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-nitro-2-furamide Formula: C19H23N7O5S MolecularWeight: 461.49482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=N1)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=N1)N4CCOCC4

InChI

InChI=1S/C19H23N7O5S/c1-12(2)32-19-22-16(24-7-9-30-10-8-24)13-11-21-25(17(13)23-19)6-5-20-18(27)14-3-4-15(31-14)26(28)29/h3-4,11-12H,5-10H2,1-2H3,(H,20,27)