9-(oxan-2-yl)-2,6-diphenyl-8-propyl-purine

Systemtic Name: 9-(oxan-2-yl)-2,6-diphenyl-8-propyl-purine Openeye Name: 2,6-diphenyl-8-propyl-9-tetrahydropyran-2-yl-purine CAS Name: 9-(2-oxanyl)-2,6-diphenyl-8-propylpurine IUPAC Name: 9-(oxan-2-yl)-2,6-diphenyl-8-propylpurine Traditional Name: 2,6-diphenyl-8-propyl-9-tetrahydropyran-2-yl-purine Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N=C2N1C3CCCCO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(N=C(N=C2N1C3CCCCO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O/c1-2-11-20-26-23-22(18-12-5-3-6-13-18)27-24(19-14-7-4-8-15-19)28-25(23)29(20)21-16-9-10-17-30-21/h3-8,12-15,21H,2,9-11,16-17H2,1H3