5-hexyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine

Systemtic Name: 5-hexyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine Openeye Name: 5-hexyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine CAS Name: 5-hexyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine IUPAC Name: 5-hexyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine Traditional Name: 5-hexyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine Formula: C22H32N2O MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC[C@@H](C)CC

InChI

InChI=1S/C22H32N2O/c1-4-6-7-8-9-19-16-23-22(24-17-19)20-10-12-21(13-11-20)25-15-14-18(3)5-2/h10-13,16-18H,4-9,14-15H2,1-3H3/t18-/m0/s1