[5-bromanyl-1-methyl-2,6-bis(oxidanylidene)-3-(2-thiocyanatoethyl)pyrimidin-4-yl]methyl thiocyanate

Systemtic Name: [5-bromanyl-1-methyl-2,6-bis(oxidanylidene)-3-(2-thiocyanatoethyl)pyrimidin-4-yl]methyl thiocyanate Openeye Name: [5-bromo-1-methyl-2,6-dioxo-3-(2-thiocyanatoethyl)pyrimidin-4-yl]methyl thiocyanate CAS Name: thiocyanic acid [5-bromo-1-methyl-2,6-dioxo-3-(2-thiocyanatoethyl)-4-pyrimidinyl]methyl ester IUPAC Name: [5-bromo-1-methyl-2,6-dioxo-3-(2-thiocyanatoethyl)pyrimidin-4-yl]methyl thiocyanate Traditional Name: thiocyanic acid [5-bromo-2,6-diketo-1-methyl-3-(2-thiocyanatoethyl)pyrimidin-4-yl]methyl ester Formula: C10H9BrN4O2S2 MolecularWeight: 361.23806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CCSC#N)CSC#N)Br

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CCSC#N)CSC#N)Br

InChI

InChI=1S/C10H9BrN4O2S2/c1-14-9(16)8(11)7(4-19-6-13)15(10(14)17)2-3-18-5-12/h2-4H2,1H3