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

Systemtic Name: ethyl 4-azanyl-2-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19ClN4O5S MolecularWeight: 426.87456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C17H19ClN4O5S/c1-4-27-16(24)9-7-20-17(22-15(9)19)28-8-14(23)21-11-5-10(18)12(25-2)6-13(11)26-3/h5-7H,4,8H2,1-3H3,(H,21,23)(H2,19,20,22)