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

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-6-methyl-5-(p-tolylmethyl)pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-6-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-6-methyl-5-(4-methylbenzyl)pyrimidin-4-olate Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC[NH3+])C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC[NH3+])C

InChI

InChI=1S/C15H19N3OS/c1-10-3-5-12(6-4-10)9-13-11(2)17-15(18-14(13)19)20-8-7-16/h3-6H,7-9,16H2,1-2H3,(H,17,18,19)