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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-butoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-butoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-3-5-10-29-18(26)13-6-8-14(9-7-13)23-16(25)12-30-20-22-11-15(17(21)24-20)19(27)28-4-2/h6-9,11H,3-5,10,12H2,1-2H3,(H,23,25)(H2,21,22,24)