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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-chloranyl-3-ethoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-chloro-3-ethoxycarbonyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-chloro-3-ethoxycarbonylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-chloro-3-ethoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-carbethoxy-4-chloro-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)Cl

InChI

InChI=1S/C18H19ClN4O5S/c1-3-27-16(25)11-7-10(5-6-13(11)19)22-14(24)9-29-18-21-8-12(15(20)23-18)17(26)28-4-2/h5-8H,3-4,9H2,1-2H3,(H,22,24)(H2,20,21,23)