(2S)-2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylbutanoate

Systemtic Name: (2S)-2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylbutanoate Openeye Name: (2S)-2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylbutanoate CAS Name: (2S)-2-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]butanoate IUPAC Name: (2S)-2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutanoate Traditional Name: (2S)-2-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]butyrate Formula: C17H15N2O2S2- MolecularWeight: 343.4432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC=NC2=C1C(=C(S2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)[O-])SC1=NC=NC2=C1C(=C(S2)C)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2S2/c1-3-12(17(20)21)23-16-14-13(11-7-5-4-6-8-11)10(2)22-15(14)18-9-19-16/h4-9,12H,3H2,1-2H3,(H,20,21)/p-1/t12-/m0/s1