2-[2-hydroxyethyl-[9-[(3-nitrophenyl)methyl]purin-6-yl]amino]ethanol

Systemtic Name: 2-[2-hydroxyethyl-[9-[(3-nitrophenyl)methyl]purin-6-yl]amino]ethanol Openeye Name: 2-[2-hydroxyethyl-[9-[(3-nitrophenyl)methyl]purin-6-yl]amino]ethanol CAS Name: 2-[2-hydroxyethyl-[9-[(3-nitrophenyl)methyl]-6-purinyl]amino]ethanol IUPAC Name: 2-[2-hydroxyethyl-[9-[(3-nitrophenyl)methyl]purin-6-yl]amino]ethanol Traditional Name: 2-[2-hydroxyethyl-[9-(3-nitrobenzyl)purin-6-yl]amino]ethanol Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2N=CN=C3N(CCO)CCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2N=CN=C3N(CCO)CCO

InChI

InChI=1S/C16H18N6O4/c23-6-4-20(5-7-24)15-14-16(18-10-17-15)21(11-19-14)9-12-2-1-3-13(8-12)22(25)26/h1-3,8,10-11,23-24H,4-7,9H2