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

Systemtic Name: 3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(phenethylamino)xanthine Formula: C23H24N6O6 MolecularWeight: 480.47326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)C[C@H](COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H24N6O6/c1-27-20-19(21(31)26-23(27)32)28(22(25-20)24-12-11-15-5-3-2-4-6-15)13-17(30)14-35-18-9-7-16(8-10-18)29(33)34/h2-10,17,30H,11-14H2,1H3,(H,24,25)(H,26,31,32)/t17-/m1/s1