(2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]hexanoate

Systemtic Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]hexanoate Openeye Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]hexanoate CAS Name: (2S)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]hexanoate IUPAC Name: (2S)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]hexanoate Traditional Name: (2S)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]hexanoate Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC(=N1)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC(=N1)C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-4-5-11-15(20(24)25)23-18-17-16(14-9-7-6-8-10-14)12(2)26-19(17)22-13(3)21-18/h6-10,15H,4-5,11H2,1-3H3,(H,24,25)(H,21,22,23)/t15-/m0/s1