5-(7-cyclopentylheptoxy)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine

Systemtic Name: 5-(7-cyclopentylheptoxy)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine Openeye Name: 5-(7-cyclopentylheptoxy)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine CAS Name: 5-(7-cyclopentylheptoxy)-2-[4-[(3-hexyl-2-oxiranyl)methoxy]phenyl]pyrimidine IUPAC Name: 5-(7-cyclopentylheptoxy)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine Traditional Name: 5-(7-cyclopentylheptoxy)-2-[4-[(3-hexyloxiran-2-yl)methoxy]phenyl]pyrimidine Formula: C31H46N2O3 MolecularWeight: 494.70854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(O1)COC2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1C(O1)COC2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCCCCC4CCCC4

InChI

InChI=1S/C31H46N2O3/c1-2-3-4-9-16-29-30(36-29)24-35-27-19-17-26(18-20-27)31-32-22-28(23-33-31)34-21-12-7-5-6-8-13-25-14-10-11-15-25/h17-20,22-23,25,29-30H,2-16,21,24H2,1H3