2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-(2-indan-5-yloxyethylsulfanyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(2-indan-5-yloxyethylthio)-6-methyl-pyrimidin-4-olate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCOC2=CC3=C(CCC3)C=C2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCOC2=CC3=C(CCC3)C=C2)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-11-9-15(19)18-16(17-11)21-8-7-20-14-6-5-12-3-2-4-13(12)10-14/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18,19)/p-1