2-[4-(4-butoxypent-1-ynyl)phenyl]-5-decoxy-pyrimidine

Systemtic Name: 2-[4-(4-butoxypent-1-ynyl)phenyl]-5-decoxy-pyrimidine Openeye Name: 2-[4-(4-butoxypent-1-ynyl)phenyl]-5-decoxy-pyrimidine CAS Name: 2-[4-(4-butoxypent-1-ynyl)phenyl]-5-decoxypyrimidine IUPAC Name: 2-[4-(4-butoxypent-1-ynyl)phenyl]-5-decoxypyrimidine Traditional Name: 2-[4-(4-butoxypent-1-ynyl)phenyl]-5-decoxy-pyrimidine Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CCC(C)OCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CCC(C)OCCCC

InChI

InChI=1S/C29H42N2O2/c1-4-6-8-9-10-11-12-13-22-33-28-23-30-29(31-24-28)27-19-17-26(18-20-27)16-14-15-25(3)32-21-7-5-2/h17-20,23-25H,4-13,15,21-22H2,1-3H3