3-[6-methyl-2-[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-11-4-6-14(7-5-11)10-20-17(25)13(3)27-19-21-12(2)15(18(26)22-19)8-9-16(23)24/h4-7,13H,8-10H2,1-3H3,(H,20,25)(H,23,24)(H,21,22,26)