ethyl 4-azanyl-2-[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-chloranyl-3-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-chloro-3-methoxycarbonyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-carbomethoxy-4-chloro-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17ClN4O5S MolecularWeight: 424.85868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O5S/c1-3-27-16(25)11-7-20-17(22-14(11)19)28-8-13(23)21-9-4-5-12(18)10(6-9)15(24)26-2/h4-7H,3,8H2,1-2H3,(H,21,23)(H2,19,20,22)