(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentanedioate

Systemtic Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentanedioate Openeye Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentanedioate CAS Name: (2R)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]pentanedioate IUPAC Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentanedioate Traditional Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]glutarate Formula: C13H13N3O4S-2 MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(CCC(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@H](CCC(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C13H15N3O4S/c1-6-7(2)21-12-10(6)11(14-5-15-12)16-8(13(19)20)3-4-9(17)18/h5,8H,3-4H2,1-2H3,(H,17,18)(H,19,20)(H,14,15,16)/p-2/t8-/m1/s1