(2R)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methyl-butanoic acid Openeye Name: (2R)-2-[4-[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methyl-butanoic acid CAS Name: (2R)-2-[[4-[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)ethylamino]phenyl]thio]-3-methylbutanoic acid IUPAC Name: (2R)-2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methylbutanoic acid Traditional Name: (2R)-2-[[4-[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]thio]-3-methyl-butyric acid Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CCNC2=CC=C(C=C2)SC(C(C)C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CCNC2=CC=C(C=C2)S[C@H](C(C)C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3S/c1-4-22-27-21(18-8-6-5-7-9-18)16-23(29)28(22)15-14-26-19-10-12-20(13-11-19)32-24(17(2)3)25(30)31/h5-13,16-17,24,26H,4,14-15H2,1-3H3,(H,30,31)/t24-/m1/s1