2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylic acid Openeye Name: 4-(allylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-(prop-2-enylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-(prop-2-enylamino)pyrimidine-5-carboxylic acid Traditional Name: 4-(allylamino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC=C)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC=C)C(=O)O

InChI

InChI=1S/C9H11N3O2S/c1-3-4-10-7-6(8(13)14)5-11-9(12-7)15-2/h3,5H,1,4H2,2H3,(H,13,14)(H,10,11,12)