ethyl 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-benzoate

Systemtic Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-benzoate Openeye Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-benzoate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)-ethylamino]-3-(methylthio)benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-3-methylsulfanylbenzoate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-(methylthio)benzoic acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C(=O)OCC)SC)C2=NC(=CC(=N2)C)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(=O)OCC)SC)C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H23N3O2S/c1-6-21(18-19-12(3)10-13(4)20-18)15-9-8-14(11-16(15)24-5)17(22)23-7-2/h8-11H,6-7H2,1-5H3