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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCC(C)CC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCC(C)CC

InChI

InChI=1S/C28H38N2/c1-4-6-10-18-28(19-16-26(17-20-28)25-14-8-7-9-15-25)27-29-21-24(22-30-27)13-11-12-23(3)5-2/h7-9,14-17,19-23,26H,4-6,10-13,18H2,1-3H3