5-methyl-2,4-bis(oxidanylidene)-3-phenethyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-2,4-bis(oxidanylidene)-3-phenethyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2,4-dioxo-3-phenethyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2,4-dioxo-3-phenethyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2,4-dioxo-3-phenethyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-5-methyl-3-phenethyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13N2O4S- MolecularWeight: 329.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2)CCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2)CCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c1-9-11-13(23-12(9)15(20)21)17-16(22)18(14(11)19)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,22)(H,20,21)/p-1