2-(2-azaniumylethylsulfanyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-(2-azaniumylethylsulfanyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 2-(2-azaniumylethylsulfanyl)-5-benzyl-6-methyl-pyrimidin-4-olate CAS Name: 2-(2-ammonioethylthio)-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 2-(2-azaniumylethylsulfanyl)-5-benzyl-6-methylpyrimidin-4-olate Traditional Name: 2-(2-ammonioethylthio)-5-benzyl-6-methyl-pyrimidin-4-olate Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS/c1-10-12(9-11-5-3-2-4-6-11)13(18)17-14(16-10)19-8-7-15/h2-6H,7-9,15H2,1H3,(H,16,17,18)