6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-7H-purine

Systemtic Name: 6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-7H-purine Openeye Name: 6-[(E)-4-methyl-5-tetrahydropyran-2-yloxy-pent-3-en-1-ynyl]-7H-purine CAS Name: 6-[(E)-4-methyl-5-(2-oxanyloxy)pent-3-en-1-ynyl]-7H-purine IUPAC Name: 6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-7H-purine Traditional Name: 6-[(E)-4-methyl-5-tetrahydropyran-2-yloxy-pent-3-en-1-ynyl]-7H-purine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#CC1=C2C(=NC=N1)N=CN2)COC3CCCCO3

Isomeric SMILES

C/C(=C\C#CC1=C2C(=NC=N1)N=CN2)/COC3CCCCO3

InChI

InChI=1S/C16H18N4O2/c1-12(9-22-14-7-2-3-8-21-14)5-4-6-13-15-16(19-10-17-13)20-11-18-15/h5,10-11,14H,2-3,7-9H2,1H3,(H,17,18,19,20)/b12-5+