ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methyl-butanoate

Systemtic Name: ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methyl-butanoate Openeye Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methyl-butanoate CAS Name: 2-[[4-[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)ethylamino]phenyl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethylamino]phenyl]sulfanyl-3-methylbutanoate Traditional Name: 2-[[4-[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]thio]-3-methyl-butyric acid ethyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-5-24-29-23(20-10-8-7-9-11-20)18-25(31)30(24)17-16-28-21-12-14-22(15-13-21)34-26(19(3)4)27(32)33-6-2/h7-15,18-19,26,28H,5-6,16-17H2,1-4H3