2-(3-methylpentoxy)-4-phenyl-5-undecoxy-pyrimidine

Systemtic Name: 2-(3-methylpentoxy)-4-phenyl-5-undecoxy-pyrimidine Openeye Name: 2-(3-methylpentoxy)-4-phenyl-5-undecoxy-pyrimidine CAS Name: 2-(3-methylpentoxy)-4-phenyl-5-undecoxypyrimidine IUPAC Name: 2-(3-methylpentoxy)-4-phenyl-5-undecoxypyrimidine Traditional Name: 2-(3-methylpentoxy)-4-phenyl-5-undecoxy-pyrimidine Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1C2=CC=CC=C2)OCCC(C)CC

InChI

InChI=1S/C27H42N2O2/c1-4-6-7-8-9-10-11-12-16-20-30-25-22-28-27(31-21-19-23(3)5-2)29-26(25)24-17-14-13-15-18-24/h13-15,17-18,22-23H,4-12,16,19-21H2,1-3H3