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

Systemtic Name: ethyl 7-methylsulfanyl-3-propan-2-yl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 3-isopropyl-7-methylsulfanyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 7-(methylthio)-3-propan-2-yl-5-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfanyl-3-propan-2-yl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 3-isopropyl-7-(methylthio)-5-pyrrolidino-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N2C1=NN=C2C(C)C)N3CCCC3)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N2C1=NN=C2C(C)C)N3CCCC3)SC

InChI

InChI=1S/C16H23N5O2S/c1-5-23-15(22)11-13-19-18-12(10(2)3)21(13)16(17-14(11)24-4)20-8-6-7-9-20/h10H,5-9H2,1-4H3