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

Systemtic Name: 4-[(6-methyl-2-methylsulfanyl-5-prop-2-enyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(5-allyl-6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(6-methyl-2-methylsulfanyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5-allyl-6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)O)CC=C

InChI

InChI=1S/C16H17N3O2S/c1-4-5-13-10(2)17-16(22-3)19-14(13)18-12-8-6-11(7-9-12)15(20)21/h4,6-9H,1,5H2,2-3H3,(H,20,21)(H,17,18,19)