8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(2,4-dinitrophenyl)thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(2,4-dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(2,4-dinitrophenyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H10N6O6S MolecularWeight: 378.3201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O6S/c1-16-10-9(11(20)17(2)13(16)21)14-12(15-10)26-8-4-3-6(18(22)23)5-7(8)19(24)25/h3-5H,1-2H3,(H,14,15)