5-heptyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-heptyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-heptyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-heptyl-2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-heptyl-2-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-5-heptyl-pyrimidine Formula: C28H38N2 MolecularWeight: 402.61472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCCCC

InChI

InChI=1S/C28H38N2/c1-3-5-7-8-10-14-24-22-29-27(30-23-24)28(19-13-6-4-2)20-17-26(18-21-28)25-15-11-9-12-16-25/h9,11-12,15-18,20-23,26H,3-8,10,13-14,19H2,1-2H3