3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C18H17N2O3S2- MolecularWeight: 373.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)SCCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)SCCC(=O)[O-])C)C

InChI

InChI=1S/C18H18N2O3S2/c1-9-4-5-12(8-10(9)2)14-11(3)25-17-15(14)16(23)19-18(20-17)24-7-6-13(21)22/h4-5,8H,6-7H2,1-3H3,(H,21,22)(H,19,20,23)/p-1