ethyl 5,7-dimethyl-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5,7-dimethyl-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5,7-dimethyl-2-(phenylmethylthio)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 2-(benzylthio)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=C(C=C(N2N=C1SCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C2N=C(C=C(N2N=C1SCC3=CC=CC=C3)C)C

InChI

InChI=1S/C18H19N3O2S/c1-4-23-18(22)15-16-19-12(2)10-13(3)21(16)20-17(15)24-11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3