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

Systemtic Name: ethyl 4-azanyl-2-[(2-methoxy-5-nitro-phenyl)carbonyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(2-methoxy-5-nitro-benzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(2-methoxy-5-nitrophenyl)-oxomethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-methoxy-5-nitrobenzoyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(2-methoxy-5-nitro-benzoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18N4O7S MolecularWeight: 446.43382

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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)[N+](=O)[O-])OC)N)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O7S/c1-4-29-19(25)15-9(2)14-16(20)21-13(22-17(14)31-15)8-30-18(24)11-7-10(23(26)27)5-6-12(11)28-3/h5-7H,4,8H2,1-3H3,(H2,20,21,22)