ethyl 4-[3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butanoate

Systemtic Name: ethyl 4-[3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butanoate Openeye Name: ethyl 4-[3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butanoate CAS Name: 4-[3-[3-methoxy-4-(phenylthio)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-methoxy-4-phenylsulfanylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butanoate Traditional Name: 4-[7-keto-3-[3-methoxy-4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]butyric acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CN=C2C(=CNN2C1=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)CCCC1=CN=C2C(=CNN2C1=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O4S/c1-3-32-23(29)11-7-8-18-15-26-24-20(16-27-28(24)25(18)30)17-12-13-22(21(14-17)31-2)33-19-9-5-4-6-10-19/h4-6,9-10,12-16,27H,3,7-8,11H2,1-2H3