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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

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