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

Systemtic Name: 3-[2-[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC2CC2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NC2CC2)CCC(=O)O

InChI

InChI=1S/C15H20N4O5S/c1-7-10(5-6-11(20)21)13(23)19-15(16-7)25-8(2)12(22)18-14(24)17-9-3-4-9/h8-9H,3-6H2,1-2H3,(H,20,21)(H,16,19,23)(H2,17,18,22,24)