(2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate

Systemtic Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Openeye Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butanedioate CAS Name: (2R)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanedioate IUPAC Name: (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Traditional Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]succinate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)[NH2+]C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)[NH2+][C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-3-7-4-8-11(14-6(2)15-12(8)21-7)16-9(13(19)20)5-10(17)18/h4,9H,3,5H2,1-2H3,(H,17,18)(H,19,20)(H,14,15,16)/p-1/t9-/m1/s1