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

Systemtic Name: 5-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butyl)amino]ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[2-[(4-hydroxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethyl]thio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[2-[(4-hydroxy-4-oxobutyl)amino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[2-[(4-hydroxy-4-keto-butyl)amino]-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H15N3O6S2 MolecularWeight: 385.4154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C14H15N3O6S2/c1-6-9-11(21)16-14(17-12(9)25-10(6)13(22)23)24-5-7(18)15-4-2-3-8(19)20/h2-5H2,1H3,(H,15,18)(H,19,20)(H,22,23)(H,16,17,21)