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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN4O2S2/c1-15-10(17)9(12)8(5-20-7-14)16(11(15)18)3-2-4-19-6-13/h2-5H2,1H3