methyl 4-methyl-3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H19N5O3S MolecularWeight: 433.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3S/c1-14-8-9-15(22(29)30-2)10-18(14)26-19(28)12-31-21-17-11-25-27(20(17)23-13-24-21)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,26,28)