5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoic acid

Systemtic Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]pentanoic acid Openeye Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]pentanoic acid CAS Name: 5-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]pentanoic acid IUPAC Name: 5-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]pentanoic acid Traditional Name: 5-[2-[(2,5-dimethylbenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]valeric acid Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCCC(=O)O)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCCC(=O)O)SC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-13-6-7-14(2)15(11-13)12-27-20-21-16-8-10-26-18(16)19(25)22(20)9-4-3-5-17(23)24/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,23,24)