ethyl 2-[4-chloranyl-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoate Openeye Name: ethyl 2-[4-chloro-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoate CAS Name: 2-[[4-chloro-6-[(4-phenylphenyl)methylamino]-2-pyrimidinyl]thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoate Traditional Name: 2-[[4-chloro-6-[(4-phenylbenzyl)amino]pyrimidin-2-yl]thio]caprylic acid ethyl ester Formula: C27H32ClN3O2S MolecularWeight: 498.07988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)NCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)NCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H32ClN3O2S/c1-3-5-6-10-13-23(26(32)33-4-2)34-27-30-24(28)18-25(31-27)29-19-20-14-16-22(17-15-20)21-11-8-7-9-12-21/h7-9,11-12,14-18,23H,3-6,10,13,19H2,1-2H3,(H,29,30,31)