2-[2-[4-[(2S)-butan-2-yl]oxyphenoxy]ethylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-[(2S)-butan-2-yl]oxyphenoxy]ethylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-[4-[(1S)-1-methylpropoxy]phenoxy]ethylsulfanyl]pyrimidin-4-olate CAS Name: 2-[2-[4-[(2S)-butan-2-yl]oxyphenoxy]ethylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-[(2S)-butan-2-yl]oxyphenoxy]ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 6-methyl-2-[2-[4-[(1S)-1-methylpropoxy]phenoxy]ethylthio]pyrimidin-4-olate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)OCCSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C17H22N2O3S/c1-4-13(3)22-15-7-5-14(6-8-15)21-9-10-23-17-18-12(2)11-16(20)19-17/h5-8,11,13H,4,9-10H2,1-3H3,(H,18,19,20)/p-1/t13-/m0/s1