3-[9-[(4-aminophenyl)methyl]-2-morpholin-4-yl-purin-6-yl]phenol

Systemtic Name: 3-[9-[(4-aminophenyl)methyl]-2-morpholin-4-yl-purin-6-yl]phenol Openeye Name: 3-[9-[(4-aminophenyl)methyl]-2-morpholino-purin-6-yl]phenol CAS Name: 3-[9-[(4-aminophenyl)methyl]-2-(4-morpholinyl)-6-purinyl]phenol IUPAC Name: 3-[9-[(4-aminophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol Traditional Name: 3-[9-(4-aminobenzyl)-2-morpholino-purin-6-yl]phenol Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2/c23-17-6-4-15(5-7-17)13-28-14-24-20-19(16-2-1-3-18(29)12-16)25-22(26-21(20)28)27-8-10-30-11-9-27/h1-7,12,14,29H,8-11,13,23H2