ethyl 4-azanyl-5-methyl-2-[(5-nitrothiophen-2-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(5-nitrothiophen-2-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(5-nitro-2-thiophenyl)-oxomethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[(5-nitrothiophene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC=C(S3)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC=C(S3)[N+](=O)[O-])N)C

InChI

InChI=1S/C16H14N4O6S2/c1-3-25-16(22)12-7(2)11-13(17)18-9(19-14(11)28-12)6-26-15(21)8-4-5-10(27-8)20(23)24/h4-5H,3,6H2,1-2H3,(H2,17,18,19)