3-methyl-8-(2-methylpropylamino)-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-8-(isobutylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-8-(isobutylamino)-3-methyl-xanthine Formula: C19H24N6O6 MolecularWeight: 432.43046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N6O6/c1-11(2)8-20-18-21-16-15(17(27)22-19(28)23(16)3)24(18)9-13(26)10-31-14-6-4-12(5-7-14)25(29)30/h4-7,11,13,26H,8-10H2,1-3H3,(H,20,21)(H,22,27,28)/t13-/m1/s1