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

Systemtic Name: 3-[2-[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C19H22ClN3O5S/c1-9-7-14(15(28-4)8-13(9)20)22-17(26)11(3)29-19-21-10(2)12(18(27)23-19)5-6-16(24)25/h7-8,11H,5-6H2,1-4H3,(H,22,26)(H,24,25)(H,21,23,27)