2-ethylsulfanyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide CAS Name: 2-(ethylthio)-N-[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 2-(ethylthio)-N-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C23H30N6O2S2 MolecularWeight: 486.6533

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC(C)C)N4CCOCC4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC(C)C)N4CCOCC4

InChI

InChI=1S/C23H30N6O2S2/c1-4-32-19-8-6-5-7-17(19)22(30)24-9-10-29-21-18(15-25-29)20(28-11-13-31-14-12-28)26-23(27-21)33-16(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,24,30)