ethyl 4-azanyl-2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-3-26-16(24)11-5-7-12(8-6-11)21-14(23)10-28-18-20-9-13(15(19)22-18)17(25)27-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,23)(H2,19,20,22)