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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-4-oxo-2-[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C22H26N4O5S/c1-14-17(7-8-19(28)29)21(31)25-22(23-14)32-13-18(27)26-11-9-15(10-12-26)20(30)24-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3,(H,24,30)(H,28,29)(H,23,25,31)