6-octa-1,7-diynyl-9-(oxan-2-yl)purine

Systemtic Name: 6-octa-1,7-diynyl-9-(oxan-2-yl)purine Openeye Name: 6-octa-1,7-diynyl-9-tetrahydropyran-2-yl-purine CAS Name: 6-octa-1,7-diynyl-9-(2-oxanyl)purine IUPAC Name: 6-octa-1,7-diynyl-9-(oxan-2-yl)purine Traditional Name: 6-octa-1,7-diynyl-9-tetrahydropyran-2-yl-purine Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCC#CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3

Isomeric SMILES

C#CCCCCC#CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3

InChI

InChI=1S/C18H20N4O/c1-2-3-4-5-6-7-10-15-17-18(20-13-19-15)22(14-21-17)16-11-8-9-12-23-16/h1,13-14,16H,3-6,8-9,11-12H2