2-(2-azaniumylethylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-5-[(4-chlorophenyl)methyl]-6-methyl-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-5-(4-chlorobenzyl)-6-methyl-pyrimidin-4-olate Formula: C14H16ClN3OS MolecularWeight: 309.81434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC[NH3+])[O-])CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC[NH3+])[O-])CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-9-12(8-10-2-4-11(15)5-3-10)13(19)18-14(17-9)20-7-6-16/h2-5H,6-8,16H2,1H3,(H,17,18,19)