5-decyl-2-[4-[(5S)-5-methyl-2-[(2R)-oxan-2-yl]oxy-heptoxy]phenyl]pyrimidine

Systemtic Name: 5-decyl-2-[4-[(5S)-5-methyl-2-[(2R)-oxan-2-yl]oxy-heptoxy]phenyl]pyrimidine Openeye Name: 5-decyl-2-[4-[(5S)-5-methyl-2-[(2R)-tetrahydropyran-2-yl]oxy-heptoxy]phenyl]pyrimidine CAS Name: 5-decyl-2-[4-[(5S)-5-methyl-2-[[(2R)-2-oxanyl]oxy]heptoxy]phenyl]pyrimidine IUPAC Name: 5-decyl-2-[4-[(5S)-5-methyl-2-[(2R)-oxan-2-yl]oxyheptoxy]phenyl]pyrimidine Traditional Name: 5-decyl-2-[4-[(5S)-5-methyl-2-[(2R)-tetrahydropyran-2-yl]oxy-heptoxy]phenyl]pyrimidine Formula: C33H52N2O3 MolecularWeight: 524.77758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCC(C)CC)OC3CCCCO3

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CC[C@@H](C)CC)O[C@@H]3CCCCO3

InChI

InChI=1S/C33H52N2O3/c1-4-6-7-8-9-10-11-12-15-28-24-34-33(35-25-28)29-18-21-30(22-19-29)37-26-31(20-17-27(3)5-2)38-32-16-13-14-23-36-32/h18-19,21-22,24-25,27,31-32H,4-17,20,23,26H2,1-3H3/t27-,31?,32+/m0/s1