ethyl 4-azanyl-2-[2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(5-chloro-2-cyanoanilino)-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(5-chloro-2-cyanoanilino)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(5-chloro-2-cyano-anilino)-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C18H16ClN5O5S/c1-2-28-17(27)12-7-22-18(24-16(12)21)30-9-15(26)29-8-14(25)23-13-5-11(19)4-3-10(13)6-20/h3-5,7H,2,8-9H2,1H3,(H,23,25)(H2,21,22,24)