8-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]sulfanyl-1,7-dimethyl-3H-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]sulfanyl-1,7-dimethyl-3H-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(2,4-dinitrophenyl)hydrazono]propyl]sulfanyl-1,7-dimethyl-3H-purine-2,6-dione CAS Name: 8-[[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]thio]-1,7-dimethyl-3H-purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]sulfanyl-1,7-dimethyl-3H-purine-2,6-dione Traditional Name: 8-[[(2E)-2-[(2,4-dinitrophenyl)hydrazono]propyl]thio]-1,7-dimethyl-xanthine Formula: C16H16N8O6S MolecularWeight: 448.41324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CSC2=NC3=C(N2C)C(=O)N(C(=O)N3)C

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CSC2=NC3=C(N2C)C(=O)N(C(=O)N3)C

InChI

InChI=1S/C16H16N8O6S/c1-8(19-20-10-5-4-9(23(27)28)6-11(10)24(29)30)7-31-16-18-13-12(21(16)2)14(25)22(3)15(26)17-13/h4-6,20H,7H2,1-3H3,(H,17,26)/b19-8+