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

Systemtic Name: [4-(2-heptylsulfanylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-heptylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[2-(heptylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-heptylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[2-(heptylthio)pyrimidin-5-yl]phenyl] ester Formula: C23H31ClN2O2S MolecularWeight: 435.02244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C23H31ClN2O2S/c1-4-6-7-8-9-14-29-23-25-15-19(16-26-23)18-10-12-20(13-11-18)28-22(27)21(24)17(3)5-2/h10-13,15-17,21H,4-9,14H2,1-3H3