ethyl 5,7-dimethyl-3-(phenylmethylsulfanyl)-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate

Systemtic Name: ethyl 5,7-dimethyl-3-(phenylmethylsulfanyl)-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5,7-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate CAS Name: 5,7-dimethyl-3-(phenylmethylthio)-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5,7-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate Traditional Name: 3-(benzylthio)-5,7-dimethyl-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=C(N2C1=C(C=N2)SCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)N1C(C=C(N2C1=C(C=N2)SCC3=CC=CC=C3)C)C

InChI

InChI=1S/C18H21N3O2S/c1-4-23-18(22)20-13(2)10-14(3)21-17(20)16(11-19-21)24-12-15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3