4,6-bis(chloranyl)-5-(2-methylbutyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 4,6-bis(chloranyl)-5-(2-methylbutyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 4,6-dichloro-5-(2-methylbutyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 4,6-dichloro-5-(2-methylbutyl)-2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 4,6-dichloro-5-(2-methylbutyl)-2-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-4,6-dichloro-5-(2-methylbutyl)pyrimidine Formula: C26H32Cl2N2 MolecularWeight: 443.45168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32Cl2N2/c1-4-6-10-15-26(16-13-21(14-17-26)20-11-8-7-9-12-20)25-29-23(27)22(24(28)30-25)18-19(3)5-2/h7-9,11-14,16-17,19,21H,4-6,10,15,18H2,1-3H3