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

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

Systemtic Name:3-[2-morpholin-4-yl-9-[(4-nitrophenyl)methyl]purin-6-yl]phenol
Openeye Name:3-[2-morpholino-9-[(4-nitrophenyl)methyl]purin-6-yl]phenol
CAS Name:3-[2-(4-morpholinyl)-9-[(4-nitrophenyl)methyl]-6-purinyl]phenol
IUPAC Name:3-[2-morpholin-4-yl-9-[(4-nitrophenyl)methyl]purin-6-yl]phenol
Traditional Name:3-[2-morpholino-9-(4-nitrobenzyl)purin-6-yl]phenol
Formula: C22H20N6O4
MolecularWeight: 432.432
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)O


Isomeric SMILES

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC(=CC=C5)O


InChI

InChI=1S/C22H20N6O4/c29-18-3-1-2-16(12-18)19-20-21(25-22(24-19)26-8-10-32-11-9-26)27(14-23-20)13-15-4-6-17(7-5-15)28(30)31/h1-7,12,14,29H,8-11,13H2


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