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

Systemtic Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylacetic acid Traditional Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-acetic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N[C@@H](C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H17N3O2S/c1-13-22-19(24-18(21(25)26)15-10-6-3-7-11-15)17-16(12-27-20(17)23-13)14-8-4-2-5-9-14/h2-12,18H,1H3,(H,25,26)(H,22,23,24)/t18-/m0/s1