2-[4-[(4-hexoxyphenyl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(4-hexoxyphenyl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[(4-hexoxyphenyl)methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[(4-hexoxyphenyl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[(4-hexoxyphenyl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(4-hexoxybenzyl)piperazino]pyrimidine Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N4O/c1-2-3-4-5-17-26-20-9-7-19(8-10-20)18-24-13-15-25(16-14-24)21-22-11-6-12-23-21/h6-12H,2-5,13-18H2,1H3