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

Systemtic Name: ethyl 5-azanyl-7-methylsulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 5-amino-7-methylsulfanyl-3-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 5-amino-7-(methylthio)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-methylsulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 5-amino-7-(methylthio)-3-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O2S/c1-3-22-13(21)9-11-19-18-10(8-4-6-16-7-5-8)20(11)14(15)17-12(9)23-2/h4-7H,3H2,1-2H3,(H2,15,17)