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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CN=CC=C4)C5=CC(=CC=C5)O

Isomeric SMILES

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CN=CC=C4)C5=CC(=CC=C5)O

InChI

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