[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N)C

InChI

InChI=1S/C17H19N3O5S/c1-9-4-5-12(10(2)6-9)26-8-13(22)25-7-11(21)14-15(18)20(3)17(24)19-16(14)23/h4-6H,7-8,18H2,1-3H3,(H,19,23,24)