5,6-dimethyl-2-prop-2-enylsulfanyl-thieno[2,3-d]pyrimidin-4-amine; ethanedioic acid

Systemtic Name: 5,6-dimethyl-2-prop-2-enylsulfanyl-thieno[2,3-d]pyrimidin-4-amine; ethanedioic acid Openeye Name: 2-allylsulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine; oxalic acid CAS Name: 5,6-dimethyl-2-(prop-2-enylthio)-4-thieno[2,3-d]pyrimidinamine; oxalic acid IUPAC Name: 5,6-dimethyl-2-prop-2-enylsulfanylthieno[2,3-d]pyrimidin-4-amine; oxalic acid Traditional Name: [2-(allylthio)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]amine; oxalic acid Formula: C13H15N3O4S2 MolecularWeight: 341.4059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC=C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC=C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H13N3S2.C2H2O4/c1-4-5-15-11-13-9(12)8-6(2)7(3)16-10(8)14-11;3-1(4)2(5)6/h4H,1,5H2,2-3H3,(H2,12,13,14);(H,3,4)(H,5,6)