2-[2-hydroxyethyl-[9-(4-methyl-3-nitro-phenyl)purin-6-yl]amino]ethanol

Systemtic Name: 2-[2-hydroxyethyl-[9-(4-methyl-3-nitro-phenyl)purin-6-yl]amino]ethanol Openeye Name: 2-[2-hydroxyethyl-[9-(4-methyl-3-nitro-phenyl)purin-6-yl]amino]ethanol CAS Name: 2-[2-hydroxyethyl-[9-(4-methyl-3-nitrophenyl)-6-purinyl]amino]ethanol IUPAC Name: 2-[2-hydroxyethyl-[9-(4-methyl-3-nitrophenyl)purin-6-yl]amino]ethanol Traditional Name: 2-[2-hydroxyethyl-[9-(4-methyl-3-nitro-phenyl)purin-6-yl]amino]ethanol Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3N(CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3N(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c1-11-2-3-12(8-13(11)22(25)26)21-10-19-14-15(17-9-18-16(14)21)20(4-6-23)5-7-24/h2-3,8-10,23-24H,4-7H2,1H3