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

Systemtic Name: 4,6-bis(chloranyl)-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 4,6-dichloro-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 4,6-dichloro-2-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 4,6-dichloro-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-pyrimidine Formula: C21H22Cl2N2 MolecularWeight: 373.31878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2/c1-2-3-7-12-21(20-24-18(22)15-19(23)25-20)13-10-17(11-14-21)16-8-5-4-6-9-16/h4-6,8-11,13-15,17H,2-3,7,12H2,1H3