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

Systemtic Name: 3-[2-[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-1-methyl-2-(o-anisylamino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC=CC=C2OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC=CC=C2OC)CCC(=O)O

InChI

InChI=1S/C19H23N3O5S/c1-11-14(8-9-16(23)24)18(26)22-19(21-11)28-12(2)17(25)20-10-13-6-4-5-7-15(13)27-3/h4-7,12H,8-10H2,1-3H3,(H,20,25)(H,23,24)(H,21,22,26)