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

Systemtic Name: 4-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[[2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c1-6(4-20-3)13-8(16)5-21-10-9(11(17)18)7(2)14-12(19)15-10/h6H,4-5H2,1-3H3,(H,13,16)(H,17,18)(H,14,15,19)