4-(3-hexoxy-4-methoxy-2-piperazin-1-yl-phenyl)-2,6-dipyridin-2-yl-pyrimidine

Systemtic Name: 4-(3-hexoxy-4-methoxy-2-piperazin-1-yl-phenyl)-2,6-dipyridin-2-yl-pyrimidine Openeye Name: 4-(3-hexoxy-4-methoxy-2-piperazin-1-yl-phenyl)-2,6-bis(2-pyridyl)pyrimidine CAS Name: 4-[3-hexoxy-4-methoxy-2-(1-piperazinyl)phenyl]-2,6-bis(2-pyridinyl)pyrimidine IUPAC Name: 4-(3-hexoxy-4-methoxy-2-piperazin-1-ylphenyl)-2,6-dipyridin-2-ylpyrimidine Traditional Name: 4-(3-hexoxy-4-methoxy-2-piperazino-phenyl)-2,6-bis(2-pyridyl)pyrimidine Formula: C31H36N6O2 MolecularWeight: 524.65654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1N2CCNCC2)C3=CC(=NC(=N3)C4=CC=CC=N4)C5=CC=CC=N5)OC

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1N2CCNCC2)C3=CC(=NC(=N3)C4=CC=CC=N4)C5=CC=CC=N5)OC

InChI

InChI=1S/C31H36N6O2/c1-3-4-5-10-21-39-30-28(38-2)14-13-23(29(30)37-19-17-32-18-20-37)26-22-27(24-11-6-8-15-33-24)36-31(35-26)25-12-7-9-16-34-25/h6-9,11-16,22,32H,3-5,10,17-21H2,1-2H3