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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(3-methyl-2-nitro-phenyl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(3-methyl-2-nitro-benzoyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(3-methyl-2-nitrophenyl)-oxomethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(3-methyl-2-nitrobenzoyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[(3-methyl-2-nitro-benzoyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18N4O6S MolecularWeight: 430.43442

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6S/c1-4-28-19(25)15-10(3)13-16(20)21-12(22-17(13)30-15)8-29-18(24)11-7-5-6-9(2)14(11)23(26)27/h5-7H,4,8H2,1-3H3,(H2,20,21,22)