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

Systemtic Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-propanoate CAS Name: (2R)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-hydroxypropanoate IUPAC Name: (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-hydroxypropanoate Traditional Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-propionate Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-3-7-4-8-10(15-9(5-16)12(17)18)13-6(2)14-11(8)19-7/h4,9,16H,3,5H2,1-2H3,(H,17,18)(H,13,14,15)/t9-/m1/s1