ethyl 4-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-3-keto-butyric acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-4-26-17(25)8-14(24)10-27-19-15-9-22-23(18(15)20-11-21-19)16-6-5-12(2)7-13(16)3/h5-7,9,11H,4,8,10H2,1-3H3