4-[3-[(4-oxidanidyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(4-oxidanidyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-oxido-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)thio]propoxy]benzoate Formula: C17H16N2O4S-2 MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2[O-])SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2[O-])SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H18N2O4S/c20-15-13-3-1-4-14(13)18-17(19-15)24-10-2-9-23-12-7-5-11(6-8-12)16(21)22/h5-8H,1-4,9-10H2,(H,21,22)(H,18,19,20)/p-2