(2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dien-1-ol

Systemtic Name: (2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dien-1-ol Openeye Name: (2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dien-1-ol CAS Name: (2E,4E)-2-methyl-5-[9-(2-oxanyl)-6-purinyl]-1-penta-2,4-dienol IUPAC Name: (2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dien-1-ol Traditional Name: (2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dien-1-ol Formula: C16H20N4O2 MolecularWeight: 300.3556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C=C\C1=C2C(=NC=N1)N(C=N2)C3CCCCO3)/CO

InChI

InChI=1S/C16H20N4O2/c1-12(9-21)5-4-6-13-15-16(18-10-17-13)20(11-19-15)14-7-2-3-8-22-14/h4-6,10-11,14,21H,2-3,7-9H2,1H3/b6-4+,12-5+