ethyl 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(4-butylanilino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-butylanilino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-butylanilino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(4-butylanilino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CN=C2SCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H31N3O4S/c1-3-5-9-21-12-14-22(15-13-21)29-24(31)19-30-25(32)23(26(33)34-4-2)18-28-27(30)35-17-16-20-10-7-6-8-11-20/h6-8,10-15,18H,3-5,9,16-17,19H2,1-2H3,(H,29,31)