8-(furan-2-ylmethylamino)-3-methyl-7-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-xanthine Formula: C19H18N6O6 MolecularWeight: 426.38282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)C[C@@H](C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H18N6O6/c1-23-16-15(17(27)22-19(23)28)24(18(21-16)20-9-13-3-2-8-31-13)10-14(26)11-4-6-12(7-5-11)25(29)30/h2-8,14,26H,9-10H2,1H3,(H,20,21)(H,22,27,28)/t14-/m0/s1