ethyl 4-azanyl-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H19N3O7S/c1-2-26-18(25)12-8-21-19(22-17(12)20)30-10-16(24)29-9-13(23)11-3-4-14-15(7-11)28-6-5-27-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,20,21,22)