(2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-butyrate Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-4-8-5-9-11(14-6-15-12(9)19-8)16-10(7(2)3)13(17)18/h5-7,10H,4H2,1-3H3,(H,17,18)(H,14,15,16)/t10-/m1/s1