3-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)CSCCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)CSCCC(=O)O)C

InChI

InChI=1S/C12H15N3O2S2/c1-6-7(2)19-12-10(6)11(13)14-8(15-12)5-18-4-3-9(16)17/h3-5H2,1-2H3,(H,16,17)(H2,13,14,15)