4-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: 4-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: 4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]butyrate Formula: C14H16N3O4S2- MolecularWeight: 354.42454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S2/c1-7-8(2)23-13-11(7)12(21)16-14(17-13)22-6-9(18)15-5-3-4-10(19)20/h3-6H2,1-2H3,(H,15,18)(H,19,20)(H,16,17,21)/p-1