ethyl 4-[(6-methyl-2-methylsulfanyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(6-methyl-2-methylsulfanyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(5-allyl-6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-allyl-6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2CC=C)C)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2CC=C)C)SC

InChI

InChI=1S/C18H21N3O2S/c1-5-7-15-12(3)19-18(24-4)21-16(15)20-14-10-8-13(9-11-14)17(22)23-6-2/h5,8-11H,1,6-7H2,2-4H3,(H,19,20,21)