2-[4-(4-butoxybutoxy)phenyl]-5-[(2-methyloxiran-2-yl)methoxy]pyrimidine

Systemtic Name: 2-[4-(4-butoxybutoxy)phenyl]-5-[(2-methyloxiran-2-yl)methoxy]pyrimidine Openeye Name: 2-[4-(4-butoxybutoxy)phenyl]-5-[(2-methyloxiran-2-yl)methoxy]pyrimidine CAS Name: 2-[4-(4-butoxybutoxy)phenyl]-5-[(2-methyl-2-oxiranyl)methoxy]pyrimidine IUPAC Name: 2-[4-(4-butoxybutoxy)phenyl]-5-[(2-methyloxiran-2-yl)methoxy]pyrimidine Traditional Name: 2-[4-(4-butoxybutoxy)phenyl]-5-[(2-methyloxiran-2-yl)methoxy]pyrimidine Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC3(CO3)C

Isomeric SMILES

CCCCOCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC3(CO3)C

InChI

InChI=1S/C22H30N2O4/c1-3-4-11-25-12-5-6-13-26-19-9-7-18(8-10-19)21-23-14-20(15-24-21)27-16-22(2)17-28-22/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3