ethyl 2-[2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OCC)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OCC)CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4S/c1-3-30-16-21-23(29-30)24(33)31(15-14-18-10-6-5-7-11-18)26(28-21)36-17-22(32)27-20-13-9-8-12-19(20)25(34)35-4-2/h5-13,16H,3-4,14-15,17H2,1-2H3,(H,27,32)