ethyl 6-cyano-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 6-cyano-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 7-(benzylamino)-6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-cyano-5-(methylthio)-7-[(phenylmethyl)amino]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(benzylamino)-6-cyano-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-(benzylamino)-6-cyano-5-(methylthio)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=C(C(=C(N2N=C1)NCC3=CC=CC=C3)C#N)SC

Isomeric SMILES

CCOC(=O)C1=C2N=C(C(=C(N2N=C1)NCC3=CC=CC=C3)C#N)SC

InChI

InChI=1S/C18H17N5O2S/c1-3-25-18(24)14-11-21-23-15(20-10-12-7-5-4-6-8-12)13(9-19)17(26-2)22-16(14)23/h4-8,11,20H,3,10H2,1-2H3