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

Systemtic Name: 2-(4-methoxyphenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Openeye Name: 2-(4-methoxyphenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide CAS Name: 2-(4-methoxyphenyl)-3-methyl-N-[3-(methylthio)phenyl]-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide IUPAC Name: 2-(4-methoxyphenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Traditional Name: 5-keto-2-(4-methoxyphenyl)-3-methyl-N-[3-(methylthio)phenyl]-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN2C1=NC(=O)CC2C(=O)NC3=CC(=CC=C3)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(NN2C1=NC(=O)CC2C(=O)NC3=CC(=CC=C3)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-13-20(14-7-9-16(29-2)10-8-14)25-26-18(12-19(27)24-21(13)26)22(28)23-15-5-4-6-17(11-15)30-3/h4-11,18,25H,12H2,1-3H3,(H,23,28)