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

Systemtic Name: 5-methyl-2-[2-[(4-oxidanidyl-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-[2-[(4-oxido-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[2-[(4-oxido-4-oxobutyl)amino]-2-oxoethyl]thio]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2-[2-[(4-oxido-4-oxobutyl)amino]-2-oxoethyl]sulfanyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[(4-keto-4-oxido-butyl)amino]ethyl]thio]-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H13N3O6S2-2 MolecularWeight: 383.39952

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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)/p-2