3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-pyrrolidino-xanthine Formula: C19H22N6O6 MolecularWeight: 430.41458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(COC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)C[C@H](COC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H22N6O6/c1-22-16-15(17(27)21-19(22)28)24(18(20-16)23-8-2-3-9-23)10-13(26)11-31-14-6-4-12(5-7-14)25(29)30/h4-7,13,26H,2-3,8-11H2,1H3,(H,21,27,28)/t13-/m1/s1