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

Systemtic Name: 3-[2-[2-[furan-2-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[N-(2-furylmethyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-[N-(2-furanylmethyl)anilino]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-[N-(2-furfuryl)anilino]-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CC=CO2)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CC=CO2)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C21H21N3O5S/c1-14-17(9-10-19(26)27)20(28)23-21(22-14)30-13-18(25)24(12-16-8-5-11-29-16)15-6-3-2-4-7-15/h2-8,11H,9-10,12-13H2,1H3,(H,26,27)(H,22,23,28)