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

Systemtic Name: 3-[2-[1-[(4-methoxyphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[1-[(4-methoxyphenyl)carbamoyl]-2-methyl-propyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[1-[(4-methoxyphenyl)carbamoyl]-2-methyl-propyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C(C)C)C(=O)NC2=CC=C(C=C2)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C(C)C)C(=O)NC2=CC=C(C=C2)OC)CCC(=O)O

InChI

InChI=1S/C20H25N3O5S/c1-11(2)17(19(27)22-13-5-7-14(28-4)8-6-13)29-20-21-12(3)15(18(26)23-20)9-10-16(24)25/h5-8,11,17H,9-10H2,1-4H3,(H,22,27)(H,24,25)(H,21,23,26)