methyl 3-[(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)SC)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)SC)N

InChI

InChI=1S/C14H15N3O2S2/c1-19-13(18)10-5-3-4-9(6-10)8-21-14-16-11(15)7-12(17-14)20-2/h3-7H,8H2,1-2H3,(H2,15,16,17)