ethyl 5-methylsulfanyl-7-[(4-nitrophenyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-7-[(4-nitrophenyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methylsulfanyl-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-(methylthio)-7-(4-nitroanilino)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-(methylthio)-7-(4-nitroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H15N5O4S MolecularWeight: 373.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=CC=N2)N=C1SC)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N2C(=CC=N2)N=C1SC)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-3-25-16(22)13-14(18-10-4-6-11(7-5-10)21(23)24)20-12(8-9-17-20)19-15(13)26-2/h4-9,18H,3H2,1-2H3