2-[[2-(phenylmethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[2-(phenylmethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]sulfanyl]ethanoate Openeye Name: 2-[(2-benzyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[[2-(phenylmethyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]thio]acetate IUPAC Name: 2-[(2-benzyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(2-benzyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)thio]acetate Formula: C16H15N2O2S2- MolecularWeight: 331.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NC(=N2)CC3=CC=CC=C3)SCC(=O)[O-])SC1

Isomeric SMILES

C1CC2=C(C(=NC(=N2)CC3=CC=CC=C3)SCC(=O)[O-])SC1

InChI

InChI=1S/C16H16N2O2S2/c19-14(20)10-22-16-15-12(7-4-8-21-15)17-13(18-16)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,19,20)/p-1