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

Systemtic Name: 2-(4-chlorophenyl)-9-(oxan-2-yl)-6-phenyl-purine Openeye Name: 2-(4-chlorophenyl)-6-phenyl-9-tetrahydropyran-2-yl-purine CAS Name: 2-(4-chlorophenyl)-9-(2-oxanyl)-6-phenylpurine IUPAC Name: 2-(4-chlorophenyl)-9-(oxan-2-yl)-6-phenylpurine Traditional Name: 2-(4-chlorophenyl)-6-phenyl-9-tetrahydropyran-2-yl-purine Formula: C22H19ClN4O MolecularWeight: 390.86546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=C(N=C32)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=C(N=C32)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H19ClN4O/c23-17-11-9-16(10-12-17)21-25-19(15-6-2-1-3-7-15)20-22(26-21)27(14-24-20)18-8-4-5-13-28-18/h1-3,6-7,9-12,14,18H,4-5,8,13H2