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

Systemtic Name: 3-[2-[2-[(3,4-dipropoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(3,4-dipropoxyanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(3,4-dipropoxyanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(3,4-dipropoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(3,4-dipropoxyanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)OCCC

InChI

InChI=1S/C22H29N3O6S/c1-4-10-30-17-8-6-15(12-18(17)31-11-5-2)24-19(26)13-32-22-23-14(3)16(21(29)25-22)7-9-20(27)28/h6,8,12H,4-5,7,9-11,13H2,1-3H3,(H,24,26)(H,27,28)(H,23,25,29)