1,3-dimethyl-9-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(4-morpholinosulfonyl-2-nitro-phenyl)purine-2,6-dione CAS Name: 1,3-dimethyl-9-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-9-(4-morpholinosulfonyl-2-nitro-phenyl)xanthine Formula: C17H18N6O7S MolecularWeight: 450.42582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O7S/c1-19-15-14(16(24)20(2)17(19)25)18-10-22(15)12-4-3-11(9-13(12)23(26)27)31(28,29)21-5-7-30-8-6-21/h3-4,9-10H,5-8H2,1-2H3