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

Systemtic Name: 2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-4-5-13-6-7-14(15(11-13)21-3)22-8-9-23-17-18-12(2)10-16(20)19-17/h4,6-7,10-11H,1,5,8-9H2,2-3H3,(H,18,19,20)/p-1