2-(4-butoxyphenyl)-5-heptyl-pyrimidine

Systemtic Name: 2-(4-butoxyphenyl)-5-heptyl-pyrimidine Openeye Name: 2-(4-butoxyphenyl)-5-heptyl-pyrimidine CAS Name: 2-(4-butoxyphenyl)-5-heptylpyrimidine IUPAC Name: 2-(4-butoxyphenyl)-5-heptylpyrimidine Traditional Name: 2-(4-butoxyphenyl)-5-heptyl-pyrimidine Formula: C21H30N2O MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C21H30N2O/c1-3-5-7-8-9-10-18-16-22-21(23-17-18)19-11-13-20(14-12-19)24-15-6-4-2/h11-14,16-17H,3-10,15H2,1-2H3