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

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(2-bromo-4-methyl-anilino)-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19BrN4O5S MolecularWeight: 483.33626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C18H19BrN4O5S/c1-3-27-17(26)11-7-21-18(23-16(11)20)29-9-15(25)28-8-14(24)22-13-5-4-10(2)6-12(13)19/h4-7H,3,8-9H2,1-2H3,(H,22,24)(H2,20,21,23)