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

Systemtic Name: 5-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C15H10N3O5S- MolecularWeight: 344.322

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O5S/c1-7-11-13(19)16-10(17-14(11)24-12(7)15(20)21)6-8-2-4-9(5-3-8)18(22)23/h2-5H,6H2,1H3,(H,20,21)(H,16,17,19)/p-1