4-methyl-6-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(allylamino)-2-oxo-ethyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(allylamino)-2-keto-ethyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC(=O)NCC=C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC(=O)NCC=C)C(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-5-6-15-10(18)7-21-13-11(14(19)20)9(4)16-12(17-13)8(2)3/h5,8H,1,6-7H2,2-4H3,(H,15,18)(H,19,20)