[4-(2-decylsulfanylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(2-decylsulfanylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-decylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[2-(decylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-decylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[2-(decylthio)pyrimidin-5-yl]phenyl] ester Formula: C26H37ClN2O2S MolecularWeight: 477.10218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C26H37ClN2O2S/c1-4-6-7-8-9-10-11-12-17-32-26-28-18-22(19-29-26)21-13-15-23(16-14-21)31-25(30)24(27)20(3)5-2/h13-16,18-20,24H,4-12,17H2,1-3H3