5-hexyl-2-[1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine

Systemtic Name: 5-hexyl-2-[1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Openeye Name: 5-hexyl-2-[1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine CAS Name: 5-hexyl-2-[1-(2-methylbutyl)-4-phenyl-1-cyclohexa-2,5-dienyl]pyrimidine IUPAC Name: 5-hexyl-2-[1-(2-methylbutyl)-4-phenylcyclohexa-2,5-dien-1-yl]pyrimidine Traditional Name: 5-hexyl-2-[1-(2-methylbutyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C27H36N2 MolecularWeight: 388.58814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CC(C)CC

InChI

InChI=1S/C27H36N2/c1-4-6-7-9-12-23-20-28-26(29-21-23)27(19-22(3)5-2)17-15-25(16-18-27)24-13-10-8-11-14-24/h8,10-11,13-18,20-22,25H,4-7,9,12,19H2,1-3H3