4-chloranyl-6-(3-methylbutoxy)-2-(4-octylphenyl)sulfanyl-pyrimidine

Systemtic Name: 4-chloranyl-6-(3-methylbutoxy)-2-(4-octylphenyl)sulfanyl-pyrimidine Openeye Name: 4-chloro-6-isopentyloxy-2-(4-octylphenyl)sulfanyl-pyrimidine CAS Name: 4-chloro-6-(3-methylbutoxy)-2-[(4-octylphenyl)thio]pyrimidine IUPAC Name: 4-chloro-6-(3-methylbutoxy)-2-(4-octylphenyl)sulfanylpyrimidine Traditional Name: 4-chloro-6-isoamoxy-2-[(4-octylphenyl)thio]pyrimidine Formula: C23H33ClN2OS MolecularWeight: 421.03892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)SC2=NC(=CC(=N2)Cl)OCCC(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)SC2=NC(=CC(=N2)Cl)OCCC(C)C

InChI

InChI=1S/C23H33ClN2OS/c1-4-5-6-7-8-9-10-19-11-13-20(14-12-19)28-23-25-21(24)17-22(26-23)27-16-15-18(2)3/h11-14,17-18H,4-10,15-16H2,1-3H3