3-methoxy-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol

Systemtic Name: 3-methoxy-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol Openeye Name: 3-methoxy-4-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]phenol CAS Name: 3-methoxy-4-[[[9-(2-oxanyl)-6-purinyl]amino]methyl]phenol IUPAC Name: 3-methoxy-4-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenol Traditional Name: 3-methoxy-4-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]phenol Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)CNC2=NC=NC3=C2N=CN3C4CCCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)O)CNC2=NC=NC3=C2N=CN3C4CCCCO4

InChI

InChI=1S/C18H21N5O3/c1-25-14-8-13(24)6-5-12(14)9-19-17-16-18(21-10-20-17)23(11-22-16)15-4-2-3-7-26-15/h5-6,8,10-11,15,24H,2-4,7,9H2,1H3,(H,19,20,21)