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

Systemtic Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]hexanoate Openeye Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]hexanoate CAS Name: (2S)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]hexanoate IUPAC Name: (2S)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]hexanoate Traditional Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]hexanoate Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]C1=C2C=C(SC2=NC(=N1)C)CC

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])[NH2+]C1=C2C=C(SC2=NC(=N1)C)CC

InChI

InChI=1S/C15H21N3O2S/c1-4-6-7-12(15(19)20)18-13-11-8-10(5-2)21-14(11)17-9(3)16-13/h8,12H,4-7H2,1-3H3,(H,19,20)(H,16,17,18)/t12-/m0/s1