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

Systemtic Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Openeye Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]pentanoate CAS Name: (2S)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]pentanoate IUPAC Name: (2S)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Traditional Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]valerate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-4-6-11(14(18)19)17-12-10-7-9(5-2)20-13(10)16-8(3)15-12/h7,11H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)/t11-/m0/s1