2-[2-(3-methoxyphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(3-methoxyphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(3-methoxyphenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(3-methoxyphenoxy)ethylthio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(3-methoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[2-(3-methoxyphenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C21H21N2O3S- MolecularWeight: 381.46804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCCOC2=CC=CC(=C2)OC)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCCOC2=CC=CC(=C2)OC)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15-19(13-16-7-4-3-5-8-16)20(24)23-21(22-15)27-12-11-26-18-10-6-9-17(14-18)25-2/h3-10,14H,11-13H2,1-2H3,(H,22,23,24)/p-1