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

Systemtic Name: ethyl 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3S/c1-2-27-17(26)9-6-10-20-16(25)12-28-19-15-11-23-24(18(15)21-13-22-19)14-7-4-3-5-8-14/h3-5,7-8,11,13H,2,6,9-10,12H2,1H3,(H,20,25)