ethyl 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-[[2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-[(6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-3-keto-butyric acid ethyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-5-33-27(32)24(19(4)31)34-26-22(16-20-12-8-6-9-13-20)17(2)28-25-23(18(3)29-30(25)26)21-14-10-7-11-15-21/h6-15,24H,5,16H2,1-4H3