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

Systemtic Name: phenethyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-14-19-21(27)24-18(13-16-7-9-17(10-8-16)26(29)30)25-22(19)32-20(14)23(28)31-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,24,25,27)