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

Systemtic Name: 8-cyclopentyl-9-(oxan-2-yl)-2,6-diphenyl-purine Openeye Name: 8-cyclopentyl-2,6-diphenyl-9-tetrahydropyran-2-yl-purine CAS Name: 8-cyclopentyl-9-(2-oxanyl)-2,6-diphenylpurine IUPAC Name: 8-cyclopentyl-9-(oxan-2-yl)-2,6-diphenylpurine Traditional Name: 8-cyclopentyl-2,6-diphenyl-9-tetrahydropyran-2-yl-purine Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N=C(N=C3N2C4CCCCO4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N=C(N=C3N2C4CCCCO4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O/c1-3-11-19(12-4-1)23-24-27(30-25(28-23)20-13-5-2-6-14-20)31(22-17-9-10-18-32-22)26(29-24)21-15-7-8-16-21/h1-6,11-14,21-22H,7-10,15-18H2