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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-1-methyl-2-(2-thenylamino)ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC=CS2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NCC2=CC=CS2)CCC(=O)O

InChI

InChI=1S/C16H19N3O4S2/c1-9-12(5-6-13(20)21)15(23)19-16(18-9)25-10(2)14(22)17-8-11-4-3-7-24-11/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,22)(H,20,21)(H,18,19,23)