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

Systemtic Name: 1-[5-bromanyl-3-methyl-2,4-bis(oxidanylidene)-6-(thiocyanatomethyl)pyrimidin-1-yl]propan-2-yl thiocyanate Openeye Name: [2-[5-bromo-3-methyl-2,4-dioxo-6-(thiocyanatomethyl)pyrimidin-1-yl]-1-methyl-ethyl] thiocyanate CAS Name: thiocyanic acid 1-[5-bromo-3-methyl-2,4-dioxo-6-(thiocyanatomethyl)-1-pyrimidinyl]propan-2-yl ester IUPAC Name: 1-[5-bromo-3-methyl-2,4-dioxo-6-(thiocyanatomethyl)pyrimidin-1-yl]propan-2-yl thiocyanate Traditional Name: thiocyanic acid [2-[5-bromo-2,4-diketo-3-methyl-6-(thiocyanatomethyl)pyrimidin-1-yl]-1-methyl-ethyl] ester Formula: C11H11BrN4O2S2 MolecularWeight: 375.26464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=C(C(=O)N(C1=O)C)Br)CSC#N)SC#N

Isomeric SMILES

CC(CN1C(=C(C(=O)N(C1=O)C)Br)CSC#N)SC#N

InChI

InChI=1S/C11H11BrN4O2S2/c1-7(20-6-14)3-16-8(4-19-5-13)9(12)10(17)15(2)11(16)18/h7H,3-4H2,1-2H3