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

Systemtic Name: (2R,3S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2R,3S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-butanoate CAS Name: (2R,3S)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-hydroxybutanoate IUPAC Name: (2R,3S)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-hydroxybutanoate Traditional Name: (2R,3S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-butyrate Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-4-8-5-9-11(14-7(3)15-12(9)20-8)16-10(6(2)17)13(18)19/h5-6,10,17H,4H2,1-3H3,(H,18,19)(H,14,15,16)/t6-,10+/m0/s1