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

Systemtic Name: 2-methoxyethyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-3-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C18H17N3O6S/c1-11-14-16(28-15(11)18(23)27-8-7-26-2)19-10-20(17(14)22)9-12-3-5-13(6-4-12)21(24)25/h3-6,10H,7-9H2,1-2H3