4-[(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-4-keto-butyric acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c27-18(11-12-19(28)29)23-20-24-21-22-16(14-7-3-1-4-8-14)13-17(26(21)25-20)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H,28,29)(H2,22,23,24,25,27)