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

Systemtic Name: 5-[4-oxidanylidene-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]pentanoic acid Openeye Name: 5-(2-benzylsulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl)pentanoic acid CAS Name: 5-[4-oxo-2-(phenylmethylthio)-3-thieno[3,2-d]pyrimidinyl]pentanoic acid IUPAC Name: 5-(2-benzylsulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pentanoic acid Traditional Name: 5-[2-(benzylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]valeric acid Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S2/c21-15(22)8-4-5-10-20-17(23)16-14(9-11-24-16)19-18(20)25-12-13-6-2-1-3-7-13/h1-3,6-7,9,11H,4-5,8,10,12H2,(H,21,22)