3-[6-morpholin-4-yl-9-(pyridin-4-ylmethyl)purin-2-yl]phenol

Systemtic Name: 3-[6-morpholin-4-yl-9-(pyridin-4-ylmethyl)purin-2-yl]phenol Openeye Name: 3-[6-morpholino-9-(4-pyridylmethyl)purin-2-yl]phenol CAS Name: 3-[6-(4-morpholinyl)-9-(pyridin-4-ylmethyl)-2-purinyl]phenol IUPAC Name: 3-[6-morpholin-4-yl-9-(pyridin-4-ylmethyl)purin-2-yl]phenol Traditional Name: 3-[6-morpholino-9-(4-pyridylmethyl)purin-2-yl]phenol Formula: C21H20N6O2 MolecularWeight: 388.4225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC3=C2N=CN3CC4=CC=NC=C4)C5=CC(=CC=C5)O

Isomeric SMILES

C1COCCN1C2=NC(=NC3=C2N=CN3CC4=CC=NC=C4)C5=CC(=CC=C5)O

InChI

InChI=1S/C21H20N6O2/c28-17-3-1-2-16(12-17)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)13-15-4-6-22-7-5-15/h1-7,12,14,28H,8-11,13H2