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

Systemtic Name: 5-[4-oxidanylidene-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]pentanoate Openeye Name: 5-(2-benzylsulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl)pentanoate CAS Name: 5-[4-oxo-2-(phenylmethylthio)-3-thieno[3,2-d]pyrimidinyl]pentanoate IUPAC Name: 5-(2-benzylsulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pentanoate Traditional Name: 5-[2-(benzylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]valerate Formula: C18H17N2O3S2- MolecularWeight: 373.46918

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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)/p-1