2-[4-[4-(2-chloranylbutyl)phenyl]phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[4-[4-(2-chloranylbutyl)phenyl]phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-[4-(2-chlorobutyl)phenyl]phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-[4-(2-chlorobutyl)phenyl]phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-[4-(2-chlorobutyl)phenyl]phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-[4-(2-chlorobutyl)phenyl]phenyl]-5-heptyl-pyrimidine Formula: C27H33ClN2 MolecularWeight: 421.01732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(CC)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(CC)Cl

InChI

InChI=1S/C27H33ClN2/c1-3-5-6-7-8-9-22-19-29-27(30-20-22)25-16-14-24(15-17-25)23-12-10-21(11-13-23)18-26(28)4-2/h10-17,19-20,26H,3-9,18H2,1-2H3