5-[[4-(2-methylpropoxy)phenyl]methyl]-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-4-olate

Systemtic Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-[(4-isobutoxyphenyl)methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-6-oxo-2-(prop-2-enylthio)-1H-pyrimidin-4-olate IUPAC Name: 5-[[4-(2-methylpropoxy)phenyl]methyl]-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-4-olate Traditional Name: 2-(allylthio)-5-(4-isobutoxybenzyl)-6-keto-1H-pyrimidin-4-olate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC=C)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC=C)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-4-9-24-18-19-16(21)15(17(22)20-18)10-13-5-7-14(8-6-13)23-11-12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H2,19,20,21,22)/p-1