3-(diethylcarbamoselenoyl)-5-[(7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylcarbamoyl]benzoic acid

Systemtic Name: 3-(diethylcarbamoselenoyl)-5-[(7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylcarbamoyl]benzoic acid Openeye Name: 3-(diethylcarbamoselenoyl)-5-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylcarbamoyl]benzoic acid CAS Name: 3-[diethylamino(selanylidene)methyl]-5-[oxo-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylamino]methyl]benzoic acid IUPAC Name: 3-(diethylcarbamoselenoyl)-5-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylcarbamoyl]benzoic acid Traditional Name: 3-(diethylselenocarbamoyl)-5-[(7-keto-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methylcarbamoyl]benzoic acid Formula: C19H20N6O4Se MolecularWeight: 475.3599

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=[Se])C1=CC(=CC(=C1)C(=O)NCC2=CC(=O)N3C(=N2)N=CN3)C(=O)O

Isomeric SMILES

CCN(CC)C(=[Se])C1=CC(=CC(=C1)C(=O)NCC2=CC(=O)N3C(=N2)N=CN3)C(=O)O

InChI

InChI=1S/C19H20N6O4Se/c1-3-24(4-2)17(30)12-5-11(6-13(7-12)18(28)29)16(27)20-9-14-8-15(26)25-19(23-14)21-10-22-25/h5-8,10H,3-4,9H2,1-2H3,(H,20,27)(H,28,29)(H,21,22,23)