ethyl 4-azanyl-2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O8S MolecularWeight: 450.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H18N4O8S/c1-2-28-17(24)13-5-20-18(21-16(13)19)31-8-14(23)29-7-11-4-12(22(25)26)3-10-6-27-9-30-15(10)11/h3-5H,2,6-9H2,1H3,(H2,19,20,21)