2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(methylthio)phenyl]-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-5-keto-N-[3-(methylthio)phenyl]-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=NC(=O)CC(N3N2)C(=O)NC4=CC(=CC=C4)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=NC(=O)CC(N3N2)C(=O)NC4=CC(=CC=C4)SC)OC

InChI

InChI=1S/C22H22N4O4S/c1-29-18-8-7-13(9-19(18)30-2)16-11-20-24-21(27)12-17(26(20)25-16)22(28)23-14-5-4-6-15(10-14)31-3/h4-11,17,25H,12H2,1-3H3,(H,23,28)