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

Systemtic Name: 3-[6-methyl-2-[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC(C2=CC=CS2)C(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC(C2=CC=CS2)C(C)C)CCC(=O)O

InChI

InChI=1S/C18H23N3O4S2/c1-10(2)16(13-5-4-8-26-13)20-14(22)9-27-18-19-11(3)12(17(25)21-18)6-7-15(23)24/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,20,22)(H,23,24)(H,19,21,25)