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

Systemtic Name: ethyl 4-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-4-keto-butyric acid ethyl ester Formula: C20H30N6O4S MolecularWeight: 450.555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O4S/c1-4-30-17(28)6-5-16(27)21-7-8-26-19-15(13-22-26)18(25-9-11-29-12-10-25)23-20(24-19)31-14(2)3/h13-14H,4-12H2,1-3H3,(H,21,27)