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

Systemtic Name: [4-(2-undecylsulfanylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-undecylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[2-(undecylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-undecylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[2-(undecylthio)pyrimidin-5-yl]phenyl] ester Formula: C27H39ClN2O2S MolecularWeight: 491.12876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C27H39ClN2O2S/c1-4-6-7-8-9-10-11-12-13-18-33-27-29-19-23(20-30-27)22-14-16-24(17-15-22)32-26(31)25(28)21(3)5-2/h14-17,19-21,25H,4-13,18H2,1-3H3