(2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenylacetic acid Traditional Name: (2S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-acetic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)N[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H17N3O2S/c1-3-12-9-13-15(18-10(2)19-16(13)23-12)20-14(17(21)22)11-7-5-4-6-8-11/h4-9,14H,3H2,1-2H3,(H,21,22)(H,18,19,20)/t14-/m0/s1