ethyl 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2,4-dioxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2,4-dioxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-3,5-dimethyl-1-(4-nitrobenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)C)CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)C)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O6S/c1-4-27-17(23)14-10(2)13-15(22)19(3)18(24)20(16(13)28-14)9-11-5-7-12(8-6-11)21(25)26/h5-8H,4,9H2,1-3H3