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

Systemtic Name: methyl 4-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate CAS Name: 4-[[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 4-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoic acid methyl ester Formula: C21H24N6O3S MolecularWeight: 440.51866

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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)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C21H24N6O3S/c1-30-20(29)15-7-5-14(6-8-15)19(28)22-9-12-27-18-16(13-23-27)17(24-21(25-18)31-2)26-10-3-4-11-26/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,28)