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

Systemtic Name: (2R)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanedioate Openeye Name: (2R)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]pentanedioate CAS Name: (2R)-2-[(6-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]pentanedioate IUPAC Name: (2R)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanedioate Traditional Name: (2R)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]glutarate Formula: C12H12N3O4S- MolecularWeight: 294.30638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=CN=C2S1)[NH2+]C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(N=CN=C2S1)[NH2+][C@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-6-4-7-10(13-5-14-11(7)20-6)15-8(12(18)19)2-3-9(16)17/h4-5,8H,2-3H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/p-1/t8-/m1/s1