3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(benzylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[2-oxo-1-phenyl-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(benzylamino)-2-oxo-1-phenylethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(benzylamino)-2-keto-1-phenyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H23N3O4S/c1-15-18(12-13-19(27)28)21(29)26-23(25-15)31-20(17-10-6-3-7-11-17)22(30)24-14-16-8-4-2-5-9-16/h2-11,20H,12-14H2,1H3,(H,24,30)(H,27,28)(H,25,26,29)