5-[4-(4-butoxybutoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine

Systemtic Name: 5-[4-(4-butoxybutoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Openeye Name: 5-[4-(4-butoxybutoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine CAS Name: 5-[4-(4-butoxybutoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine IUPAC Name: 5-[4-(4-butoxybutoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Traditional Name: 5-[4-(4-butoxybutoxy)phenyl]-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Formula: C35H48N2O5 MolecularWeight: 576.76602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OCCCCOCCCC

Isomeric SMILES

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)OCCCCOCCCC

InChI

InChI=1S/C35H48N2O5/c1-3-5-7-9-21-39-22-10-8-13-34-41-32-19-16-29(25-33(32)42-34)35-36-26-30(27-37-35)28-14-17-31(18-15-28)40-24-12-11-23-38-20-6-4-2/h14-19,25-27,34H,3-13,20-24H2,1-2H3