4,4-bis(chloranyl)-2-(4-heptoxyphenyl)-5-(2-methylbutyl)-1H-pyrimidine

Systemtic Name: 4,4-bis(chloranyl)-2-(4-heptoxyphenyl)-5-(2-methylbutyl)-1H-pyrimidine Openeye Name: 4,4-dichloro-2-(4-heptoxyphenyl)-5-(2-methylbutyl)-1H-pyrimidine CAS Name: 4,4-dichloro-2-(4-heptoxyphenyl)-5-(2-methylbutyl)-1H-pyrimidine IUPAC Name: 4,4-dichloro-2-(4-heptoxyphenyl)-5-(2-methylbutyl)-1H-pyrimidine Traditional Name: 4,4-dichloro-2-(4-heptoxyphenyl)-5-(2-methylbutyl)-1H-pyrimidine Formula: C22H32Cl2N2O MolecularWeight: 411.40828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC(C(=CN2)CC(C)CC)(Cl)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC(C(=CN2)CC(C)CC)(Cl)Cl

InChI

InChI=1S/C22H32Cl2N2O/c1-4-6-7-8-9-14-27-20-12-10-18(11-13-20)21-25-16-19(15-17(3)5-2)22(23,24)26-21/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,25,26)