ethyl 7-azanyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-azanyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-amino-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=NC(=N2)SC)N=C1)N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=NC(=N2)SC)N=C1)N

InChI

InChI=1S/C9H11N5O2S/c1-3-16-7(15)5-4-11-8-12-9(17-2)13-14(8)6(5)10/h4H,3,10H2,1-2H3