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

Systemtic Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S2/c1-4-9-7-10-12(15-8(2)16-13(10)21-9)17-11(14(18)19)5-6-20-3/h7,11H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)/t11-/m1/s1