4-[(7S)-6-methoxycarbonyl-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate

Systemtic Name: 4-[(7S)-6-methoxycarbonyl-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate Openeye Name: 4-[(7S)-6-methoxycarbonyl-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate CAS Name: 4-[(7S)-6-methoxycarbonyl-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate IUPAC Name: 4-[(7S)-6-methoxycarbonyl-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate Traditional Name: 4-[(7S)-6-carbomethoxy-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate Formula: C15H13N4O4- MolecularWeight: 313.28812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)C(=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@@H](N2C(=N1)N=CN2)C3=CC=C(C=C3)C(=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14N4O4/c1-8-11(14(22)23-2)12(19-15(18-8)16-7-17-19)9-3-5-10(6-4-9)13(20)21/h3-7,12H,1-2H3,(H,20,21)(H,16,17,18)/p-1/t12-/m0/s1