2-(3-azaniumylpropylsulfanyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)-5-benzyl-6-methyl-pyrimidin-4-olate CAS Name: 2-(3-ammoniopropylthio)-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)-5-benzyl-6-methylpyrimidin-4-olate Traditional Name: 2-(3-ammoniopropylthio)-5-benzyl-6-methyl-pyrimidin-4-olate Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3OS/c1-11-13(10-12-6-3-2-4-7-12)14(19)18-15(17-11)20-9-5-8-16/h2-4,6-7H,5,8-10,16H2,1H3,(H,17,18,19)