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

Systemtic Name: ethyl 4-azanyl-2-[(5-ethoxy-4-methoxy-2-nitro-phenyl)carbonyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(5-ethoxy-4-methoxy-2-nitro-benzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(5-ethoxy-4-methoxy-2-nitrophenyl)-oxomethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(5-ethoxy-4-methoxy-2-nitro-benzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O8S/c1-5-31-14-7-11(12(25(28)29)8-13(14)30-4)20(26)33-9-15-23-18(22)16-10(3)17(21(27)32-6-2)34-19(16)24-15/h7-8H,5-6,9H2,1-4H3,(H2,22,23,24)