ethyl 4-azanyl-5-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H16N4O6S2 MolecularWeight: 472.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N)C

InChI

InChI=1S/C20H16N4O6S2/c1-3-29-20(26)16-9(2)15-17(21)22-14(23-18(15)32-16)8-30-19(25)13-7-10-6-11(24(27)28)4-5-12(10)31-13/h4-7H,3,8H2,1-2H3,(H2,21,22,23)