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

Systemtic Name: 2-chloranyl-8-methyl-9-(oxan-2-yl)-6-phenyl-purine Openeye Name: 2-chloro-8-methyl-6-phenyl-9-tetrahydropyran-2-yl-purine CAS Name: 2-chloro-8-methyl-9-(2-oxanyl)-6-phenylpurine IUPAC Name: 2-chloro-8-methyl-9-(oxan-2-yl)-6-phenylpurine Traditional Name: 2-chloro-8-methyl-6-phenyl-9-tetrahydropyran-2-yl-purine Formula: C17H17ClN4O MolecularWeight: 328.79608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=C(N=C2N1C3CCCCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(N=C(N=C2N1C3CCCCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C17H17ClN4O/c1-11-19-15-14(12-7-3-2-4-8-12)20-17(18)21-16(15)22(11)13-9-5-6-10-23-13/h2-4,7-8,13H,5-6,9-10H2,1H3