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

Systemtic Name: 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O4S2/c1-10-13-15(23)20-18(21-16(13)27-14(10)17(24)25)26-9-12(22)19-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,19,22)(H,24,25)(H,20,21,23)