6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-9-(oxan-2-yl)purine

Systemtic Name: 6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-9-(oxan-2-yl)purine Openeye Name: 6-[(E)-4-methyl-5-tetrahydropyran-2-yloxy-pent-3-en-1-ynyl]-9-tetrahydropyran-2-yl-purine CAS Name: 6-[(E)-4-methyl-5-(2-oxanyloxy)pent-3-en-1-ynyl]-9-(2-oxanyl)purine IUPAC Name: 6-[(E)-4-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-9-(oxan-2-yl)purine Traditional Name: 6-[(E)-4-methyl-5-tetrahydropyran-2-yloxy-pent-3-en-1-ynyl]-9-tetrahydropyran-2-yl-purine Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)COC4CCCCO4

Isomeric SMILES

C/C(=C\C#CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)/COC4CCCCO4

InChI

InChI=1S/C21H26N4O3/c1-16(13-28-19-10-3-5-12-27-19)7-6-8-17-20-21(23-14-22-17)25(15-24-20)18-9-2-4-11-26-18/h7,14-15,18-19H,2-5,9-13H2,1H3/b16-7+