ethyl 2-[2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H19N5O4S/c1-3-27-15(25)9-19-14(24)10-28-18-21-16-13(17(26)22-18)8-20-23(16)12-6-4-11(2)5-7-12/h4-8,20H,3,9-10H2,1-2H3,(H,19,24)