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

Systemtic Name: 3-[2-[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C16H24N4O5S MolecularWeight: 384.45056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC(C)(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC(C)(C)C)CCC(=O)O

InChI

InChI=1S/C16H24N4O5S/c1-8-10(6-7-11(21)22)13(24)19-15(17-8)26-9(2)12(23)18-14(25)20-16(3,4)5/h9H,6-7H2,1-5H3,(H,21,22)(H,17,19,24)(H2,18,20,23,25)