methyl 5-methyl-2-[(4-nitrophenoxy)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-nitrophenoxy)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-[(4-nitrophenoxy)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-nitrophenoxy)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-nitrophenoxy)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-nitrophenoxy)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H13N3O6S/c1-8-12-14(20)17-11(18-15(12)26-13(8)16(21)24-2)7-25-10-5-3-9(4-6-10)19(22)23/h3-6H,7H2,1-2H3,(H,17,18,20)