4-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-7(5-20-4)14-10(17)6-21-12-11(13(18)19)8(2)15-9(3)16-12/h7H,5-6H2,1-4H3,(H,14,17)(H,18,19)