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

Systemtic Name: 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-9-12-14(22)19-17(20-15(12)26-13(9)16(23)24)25-8-11(21)18-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,21)(H,23,24)(H,19,20,22)