2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoate IUPAC Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionate Formula: C17H15N2O2S2- MolecularWeight: 343.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SC(C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SC(C)C(=O)[O-])C

InChI

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