ethyl 2-[2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H21BrN6O3S MolecularWeight: 541.42024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C23H21BrN6O3S/c1-3-33-22(32)16-6-4-5-7-17(16)26-18(31)12-34-23-27-21-19(13(2)28-29-21)20(25)30(23)15-10-8-14(24)9-11-15/h4-11H,3,12,25H2,1-2H3,(H,26,31)