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

Systemtic Name: (2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-(methylthio)butyric acid Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C18H19N3O2S2/c1-11-19-16(21-14(18(22)23)8-9-24-2)13-10-15(25-17(13)20-11)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,22,23)(H,19,20,21)/t14-/m0/s1