3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]propanoic acid

Systemtic Name: 3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]propanoic acid Openeye Name: 3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]propanoic acid CAS Name: 3-[[3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoylamino]propanoic acid Traditional Name: 3-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]propanoylamino]propionic acid Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCCC(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCCC(=O)NCCC(=O)O)C

InChI

InChI=1S/C14H17N3O3S2/c1-8-9(2)22-14-12(8)13(16-7-17-14)21-6-4-10(18)15-5-3-11(19)20/h7H,3-6H2,1-2H3,(H,15,18)(H,19,20)