ethyl 4-azanyl-2-[2-[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethoxy]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N6O8S MolecularWeight: 478.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O8S/c1-2-31-17(28)12-7-20-18(21-15(12)19)33-9-14(26)32-8-13(25)22-23-16(27)10-3-5-11(6-4-10)24(29)30/h3-7H,2,8-9H2,1H3,(H,22,25)(H,23,27)(H2,19,20,21)