2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H19N4O5S- MolecularWeight: 403.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-2-3-11-9-15(23)22-18(20-11)28-10-16(24)21-17(25)19-12-4-5-13-14(8-12)27-7-6-26-13/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,22,23)(H2,19,21,24,25)/p-1