ethyl 5-azanyl-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate

Systemtic Name: ethyl 5-azanyl-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-amino-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-amino-7-(methylthio)-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-amino-7-(methylthio)-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N2C1=NN=C2C3=CC=CC=C3)N)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N2C1=NN=C2C3=CC=CC=C3)N)SC

InChI

InChI=1S/C15H15N5O2S/c1-3-22-14(21)10-12-19-18-11(9-7-5-4-6-8-9)20(12)15(16)17-13(10)23-2/h4-8H,3H2,1-2H3,(H2,16,17)