ethyl 4-azanyl-2-[2-[(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N7O6S MolecularWeight: 461.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O6S/c1-4-31-16(27)9-7-20-17(22-15(9)19)32-8-14(26)21-10-5-12-13(6-11(10)25(29)30)24(3)18(28)23(12)2/h5-7H,4,8H2,1-3H3,(H,21,26)(H2,19,20,22)