(3R)-3-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: (3R)-3-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-4-phenyl-butanoic acid Openeye Name: (3R)-3-[[2-(5-chloro-2-methyl-anilino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-4-phenyl-butanoic acid CAS Name: (3R)-3-[[2-(5-chloro-2-methylanilino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-4-phenylbutanoic acid IUPAC Name: (3R)-3-[[2-(5-chloro-2-methylanilino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-4-phenylbutanoic acid Traditional Name: (3R)-3-[[2-(5-chloro-2-methyl-anilino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-4-phenyl-butyric acid Formula: C23H23ClN6O2 MolecularWeight: 450.92072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NN3C(=CC(=NC3=N2)C)NC(CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NN3C(=CC(=NC3=N2)C)N[C@H](CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C23H23ClN6O2/c1-14-8-9-17(24)12-19(14)27-22-28-23-25-15(2)10-20(30(23)29-22)26-18(13-21(31)32)11-16-6-4-3-5-7-16/h3-10,12,18,26H,11,13H2,1-2H3,(H,27,29)(H,31,32)/t18-/m1/s1