6-chloranyl-8-cyclopentyl-9-(oxan-2-yl)-2-phenyl-purine

Systemtic Name: 6-chloranyl-8-cyclopentyl-9-(oxan-2-yl)-2-phenyl-purine Openeye Name: 6-chloro-8-cyclopentyl-2-phenyl-9-tetrahydropyran-2-yl-purine CAS Name: 6-chloro-8-cyclopentyl-9-(2-oxanyl)-2-phenylpurine IUPAC Name: 6-chloro-8-cyclopentyl-9-(oxan-2-yl)-2-phenylpurine Traditional Name: 6-chloro-8-cyclopentyl-2-phenyl-9-tetrahydropyran-2-yl-purine Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2C4CCCCO4)N=C(N=C3Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2C4CCCCO4)N=C(N=C3Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H23ClN4O/c22-18-17-21(25-19(24-18)14-8-2-1-3-9-14)26(16-12-6-7-13-27-16)20(23-17)15-10-4-5-11-15/h1-3,8-9,15-16H,4-7,10-13H2