4-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[6-[(3-ethyl-4-methyl-phenyl)amino]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(3-ethyl-4-methyl-anilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(3-ethyl-4-methylanilino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(3-ethyl-4-methyl-anilino)-2,4-diketo-1H-pyrimidin-3-yl]butyric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCC(=O)O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCC(=O)O)C

InChI

InChI=1S/C17H21N3O4/c1-3-12-9-13(7-6-11(12)2)18-14-10-15(21)20(17(24)19-14)8-4-5-16(22)23/h6-7,9-10,18H,3-5,8H2,1-2H3,(H,19,24)(H,22,23)