(2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid

Systemtic Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid Openeye Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid CAS Name: (2S)-2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]hexanoic acid IUPAC Name: (2S)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid Traditional Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=C2C(=CSC2=NC(=N1)C)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC1=C2C(=CSC2=NC(=N1)C)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-3-4-10-15(19(23)24)22-17-16-14(13-8-6-5-7-9-13)11-25-18(16)21-12(2)20-17/h5-9,11,15H,3-4,10H2,1-2H3,(H,23,24)(H,20,21,22)/t15-/m0/s1