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

Systemtic Name: methyl 4-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C14H15N3O2S/c1-9-7-12(15)17-14(16-9)20-8-10-3-5-11(6-4-10)13(18)19-2/h3-7H,8H2,1-2H3,(H2,15,16,17)