2-(3-azaniumylpropylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-5-[(4-chlorophenyl)methyl]-6-methyl-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-5-(4-chlorobenzyl)-6-methyl-pyrimidin-4-olate Formula: C15H18ClN3OS MolecularWeight: 323.84092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3OS/c1-10-13(9-11-3-5-12(16)6-4-11)14(20)19-15(18-10)21-8-2-7-17/h3-6H,2,7-9,17H2,1H3,(H,18,19,20)