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

Systemtic Name: 6-chloranyl-9-(oxan-2-yl)-2-phenyl-8-propyl-purine Openeye Name: 6-chloro-2-phenyl-8-propyl-9-tetrahydropyran-2-yl-purine CAS Name: 6-chloro-9-(2-oxanyl)-2-phenyl-8-propylpurine IUPAC Name: 6-chloro-9-(oxan-2-yl)-2-phenyl-8-propylpurine Traditional Name: 6-chloro-2-phenyl-8-propyl-9-tetrahydropyran-2-yl-purine Formula: C19H21ClN4O MolecularWeight: 356.84924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3CCCCO3)N=C(N=C2Cl)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(N1C3CCCCO3)N=C(N=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H21ClN4O/c1-2-8-14-21-16-17(20)22-18(13-9-4-3-5-10-13)23-19(16)24(14)15-11-6-7-12-25-15/h3-5,9-10,15H,2,6-8,11-12H2,1H3