5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(benzylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[(phenylmethyl)amino]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(benzylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(benzylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-10-13-15(25-14(10)17(23)24)19-9-20(16(13)22)8-12(21)18-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,21)(H,23,24)