ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanylbutanoate

Systemtic Name: ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanylbutanoate Openeye Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanylbutanoate CAS Name: 2-[[4-[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)ethylamino]phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethylamino]phenyl]sulfanylbutanoate Traditional Name: 2-[[4-[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]thio]butyric acid ethyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CCNC2=CC=C(C=C2)SC(CC)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CCNC2=CC=C(C=C2)SC(CC)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-4-23(26(31)32-6-3)33-21-14-12-20(13-15-21)27-16-17-29-24(5-2)28-22(18-25(29)30)19-10-8-7-9-11-19/h7-15,18,23,27H,4-6,16-17H2,1-3H3