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

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-bromanyl-4,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-bromo-4,5-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-bromo-4,5-dimethyl-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3S/c1-4-25-16(24)11-7-20-17(22-15(11)19)26-8-14(23)21-13-6-10(3)9(2)5-12(13)18/h5-7H,4,8H2,1-3H3,(H,21,23)(H2,19,20,22)