ethyl 2-(methoxymethyl)-7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(methoxymethyl)-7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(methoxymethyl)-7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(methoxymethyl)-7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(methoxymethyl)-7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-2-(methoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(NN2C1=O)COC)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(NN2C1=O)COC)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c1-3-30-23(28)18-13-24-21-20(19(14-29-2)25-26(21)22(18)27)15-9-11-17(12-10-15)31-16-7-5-4-6-8-16/h4-13,25H,3,14H2,1-2H3