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

Systemtic Name: 3-[2-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(3-iodo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(3-iodo-4-methylanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(3-iodo-4-methylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(3-iodo-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H18IN3O4S MolecularWeight: 487.31199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)I

InChI

InChI=1S/C17H18IN3O4S/c1-9-3-4-11(7-13(9)18)20-14(22)8-26-17-19-10(2)12(16(25)21-17)5-6-15(23)24/h3-4,7H,5-6,8H2,1-2H3,(H,20,22)(H,23,24)(H,19,21,25)