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

Systemtic Name: ethyl 4-azanyl-2-[(2-chloranyl-4-nitro-phenoxy)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(2-chloro-4-nitro-phenoxy)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[(2-chloro-4-nitrophenoxy)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-chloro-4-nitrophenoxy)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(2-chloro-4-nitro-phenoxy)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O5S/c1-3-26-17(23)14-8(2)13-15(19)20-12(21-16(13)28-14)7-27-11-5-4-9(22(24)25)6-10(11)18/h4-6H,3,7H2,1-2H3,(H2,19,20,21)