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

Systemtic Name: 3-[2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)CCC(=O)O

InChI

InChI=1S/C18H18N4O7S/c1-9-11(3-5-15(24)25)16(26)22-18(19-9)30-7-14(23)21-17(27)20-10-2-4-12-13(6-10)29-8-28-12/h2,4,6H,3,5,7-8H2,1H3,(H,24,25)(H,19,22,26)(H2,20,21,23,27)