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2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine

2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine

Systemtic Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine
Openeye Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine
CAS Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine
IUPAC Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine
Traditional Name:2-(2-heptyl-1,3-benzodioxol-5-yl)-5-(4-heptylphenyl)pyrimidine
Formula: C31H40N2O2
MolecularWeight: 472.6615
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCC


Isomeric SMILES

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=NC=C(C=N3)C4=CC=C(C=C4)CCCCCCC


InChI

InChI=1S/C31H40N2O2/c1-3-5-7-9-11-13-24-15-17-25(18-16-24)27-22-32-31(33-23-27)26-19-20-28-29(21-26)35-30(34-28)14-12-10-8-6-4-2/h15-23,30H,3-14H2,1-2H3


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