ethyl 4-azanyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-benzoate

Systemtic Name: ethyl 4-azanyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-benzoate Openeye Name: ethyl 4-amino-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-benzoate CAS Name: 4-amino-3-[(4,6-dimethyl-2-pyrimidinyl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-(4,6-dimethylpyrimidin-2-yl)sulfanylbenzoate Traditional Name: 4-amino-3-[(4,6-dimethylpyrimidin-2-yl)thio]benzoic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C15H17N3O2S/c1-4-20-14(19)11-5-6-12(16)13(8-11)21-15-17-9(2)7-10(3)18-15/h5-8H,4,16H2,1-3H3