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

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(4-chlorophenoxy)ethylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[2-(4-chlorophenoxy)ethylthio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(4-chlorophenoxy)ethylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[2-(4-chlorophenoxy)ethylthio]-6-methyl-pyrimidin-4-olate Formula: C20H18ClN2O2S- MolecularWeight: 385.88712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2S/c1-14-18(13-15-5-3-2-4-6-15)19(24)23-20(22-14)26-12-11-25-17-9-7-16(21)8-10-17/h2-10H,11-13H2,1H3,(H,22,23,24)/p-1