ethyl 4-azanyl-5-methyl-2-[2-(2-nitrophenoxy)ethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[2-(2-nitrophenoxy)ethanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[2-(2-nitrophenoxy)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[2-(2-nitrophenoxy)-1-oxoethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[2-(2-nitrophenoxy)acetyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[2-(2-nitrophenoxy)acetyl]oxymethyl]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)COC3=CC=CC=C3[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)COC3=CC=CC=C3[N+](=O)[O-])N)C

InChI

InChI=1S/C19H18N4O7S/c1-3-28-19(25)16-10(2)15-17(20)21-13(22-18(15)31-16)8-30-14(24)9-29-12-7-5-4-6-11(12)23(26)27/h4-7H,3,8-9H2,1-2H3,(H2,20,21,22)