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

Systemtic Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanedioate Openeye Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]pentanedioate CAS Name: (2R)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]pentanedioate IUPAC Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanedioate Traditional Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]glutarate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]C(CCC(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+][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-1/t8-/m1/s1