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

Systemtic Name: 1,5-dimethyl-2,4-bis(oxidanylidene)-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-benzyl-1,5-dimethyl-2,4-dioxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 1,5-dimethyl-2,4-dioxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-benzyl-1,5-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-2,4-diketo-1,5-dimethyl-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)N2C)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c1-9-11-13(19)18(8-10-6-4-3-5-7-10)16(22)17(2)14(11)23-12(9)15(20)21/h3-7H,8H2,1-2H3,(H,20,21)/p-1