(2R)-2-(2,6-dimethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanoate

Systemtic Name: (2R)-2-(2,6-dimethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanoate Openeye Name: (2R)-2-(2,6-dimethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanoate CAS Name: (2R)-2-(2,6-dimethyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)butanoate IUPAC Name: (2R)-2-(2,6-dimethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoate Traditional Name: (2R)-2-(4-keto-2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butyrate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=NC2=C(C1=O)C(=C(S2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C(=NC2=C(C1=O)C(=C(S2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O3S/c1-4-13(18(22)23)20-11(3)19-16-15(17(20)21)14(10(2)24-16)12-8-6-5-7-9-12/h5-9,13H,4H2,1-3H3,(H,22,23)/p-1/t13-/m1/s1