ethyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxo-acetate CAS Name: 2-[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxoacetate Traditional Name: 2-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-2-keto-acetic acid ethyl ester Formula: C18H26N6O4S MolecularWeight: 422.50184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC(C)C)N3CCOCC3

Isomeric SMILES

CCOC(=O)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC(C)C)N3CCOCC3

InChI

InChI=1S/C18H26N6O4S/c1-4-28-17(26)16(25)19-5-6-24-15-13(11-20-24)14(23-7-9-27-10-8-23)21-18(22-15)29-12(2)3/h11-12H,4-10H2,1-3H3,(H,19,25)