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

Systemtic Name: ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-4-methyl-pentanoate Openeye Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]sulfanyl-4-methyl-pentanoate CAS Name: 2-[[4-[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)ethylamino]phenyl]thio]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethylamino]phenyl]sulfanyl-4-methylpentanoate Traditional Name: 2-[[4-[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)ethylamino]phenyl]thio]-4-methyl-valeric acid ethyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3S/c1-5-26-30-24(21-10-8-7-9-11-21)19-27(32)31(26)17-16-29-22-12-14-23(15-13-22)35-25(18-20(3)4)28(33)34-6-2/h7-15,19-20,25,29H,5-6,16-18H2,1-4H3