propan-2-yl 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: propan-2-yl 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: isopropyl 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid isopropyl ester Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4O2S/c1-10(2)23-14(22)8-24-16-13-7-20-21(15(13)18-9-19-16)12-5-3-11(17)4-6-12/h3-7,9-10H,8H2,1-2H3