[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-methylpropoxy)ethyl] thiocyanate

Systemtic Name: [2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-methylpropoxy)ethyl] thiocyanate Openeye Name: [2-isobutoxy-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)ethyl] thiocyanate CAS Name: thiocyanic acid [2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-(2-methylpropoxy)ethyl] ester IUPAC Name: [2-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(2-methylpropoxy)ethyl] thiocyanate Traditional Name: thiocyanic acid [2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-isobutoxy-ethyl] ester Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C(CSC#N)OCC(C)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C(CSC#N)OCC(C)C

InChI

InChI=1S/C12H17N3O3S/c1-8(2)5-18-10(6-19-7-13)15-4-9(3)11(16)14-12(15)17/h4,8,10H,5-6H2,1-3H3,(H,14,16,17)