methyl 4-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate CAS Name: 4-[[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 4-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoic acid methyl ester Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

InChI

InChI=1S/C21H24N6O4S/c1-30-20(29)15-5-3-14(4-6-15)19(28)22-7-8-27-18-16(13-23-27)17(24-21(25-18)32-2)26-9-11-31-12-10-26/h3-6,13H,7-12H2,1-2H3,(H,22,28)