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

Systemtic Name: ethyl 4-azanyl-2-[2-[(3-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(3-methoxycarbonylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-methoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-carbomethoxyanilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-3-26-16(24)12-8-19-17(21-14(12)18)27-9-13(22)20-11-6-4-5-10(7-11)15(23)25-2/h4-8H,3,9H2,1-2H3,(H,20,22)(H2,18,19,21)