ethyl 4-azanyl-2-[(5-chloranyl-2-nitro-phenyl)carbonyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(5-chloranyl-2-nitro-phenyl)carbonyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(5-chloro-2-nitro-benzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(5-chloro-2-nitrophenyl)-oxomethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-chloro-2-nitrobenzoyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(5-chloro-2-nitro-benzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15ClN4O6S MolecularWeight: 450.8529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H15ClN4O6S/c1-3-28-18(25)14-8(2)13-15(20)21-12(22-16(13)30-14)7-29-17(24)10-6-9(19)4-5-11(10)23(26)27/h4-6H,3,7H2,1-2H3,(H2,20,21,22)