2-(4-methylphenyl)-9-(oxan-2-yl)-6-phenyl-purine

Systemtic Name: 2-(4-methylphenyl)-9-(oxan-2-yl)-6-phenyl-purine Openeye Name: 6-phenyl-2-(p-tolyl)-9-tetrahydropyran-2-yl-purine CAS Name: 2-(4-methylphenyl)-9-(2-oxanyl)-6-phenylpurine IUPAC Name: 2-(4-methylphenyl)-9-(oxan-2-yl)-6-phenylpurine Traditional Name: 6-phenyl-2-(p-tolyl)-9-tetrahydropyran-2-yl-purine Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C=N3)C4CCCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C=N3)C4CCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O/c1-16-10-12-18(13-11-16)22-25-20(17-7-3-2-4-8-17)21-23(26-22)27(15-24-21)19-9-5-6-14-28-19/h2-4,7-8,10-13,15,19H,5-6,9,14H2,1H3