8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-hydroxyethylamino)-1,3-dimethyl-7-(4-nitrobenzyl)xanthine Formula: C16H18N6O5 MolecularWeight: 374.35132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O5/c1-19-13-12(14(24)20(2)16(19)25)21(15(18-13)17-7-8-23)9-10-3-5-11(6-4-10)22(26)27/h3-6,23H,7-9H2,1-2H3,(H,17,18)