1-[2-[(2,4-dinitrophenyl)amino]-1-ethylsulfanyl-3,4,5,6-tetrakis(oxidanyl)hexyl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[2-[(2,4-dinitrophenyl)amino]-1-ethylsulfanyl-3,4,5,6-tetrakis(oxidanyl)hexyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[2-(2,4-dinitroanilino)-1-ethylsulfanyl-3,4,5,6-tetrahydroxy-hexyl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[2-(2,4-dinitroanilino)-1-(ethylthio)-3,4,5,6-tetrahydroxyhexyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[2-(2,4-dinitroanilino)-1-ethylsulfanyl-3,4,5,6-tetrahydroxyhexyl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[2-(2,4-dinitroanilino)-1-(ethylthio)-3,4,5,6-tetrahydroxy-hexyl]-5-methyl-pyrimidine-2,4-quinone Formula: C19H25N5O10S MolecularWeight: 515.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(C(CO)O)O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N2C=C(C(=O)NC2=O)C

Isomeric SMILES

CCSC(C(C(C(C(CO)O)O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N2C=C(C(=O)NC2=O)C

InChI

InChI=1S/C19H25N5O10S/c1-3-35-18(22-7-9(2)17(29)21-19(22)30)14(16(28)15(27)13(26)8-25)20-11-5-4-10(23(31)32)6-12(11)24(33)34/h4-7,13-16,18,20,25-28H,3,8H2,1-2H3,(H,21,29,30)