6-methyl-2-[2-(2-methyl-6-prop-2-enyl-phenoxy)ethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-(2-methyl-6-prop-2-enyl-phenoxy)ethylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[2-(2-allyl-6-methyl-phenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[2-(2-methyl-6-prop-2-enylphenoxy)ethylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(2-methyl-6-prop-2-enylphenoxy)ethylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[2-(2-allyl-6-methyl-phenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C17H19N2O2S- MolecularWeight: 315.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC=C)OCCSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)CC=C)OCCSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C17H20N2O2S/c1-4-6-14-8-5-7-12(2)16(14)21-9-10-22-17-18-13(3)11-15(20)19-17/h4-5,7-8,11H,1,6,9-10H2,2-3H3,(H,18,19,20)/p-1