4-chloranyl-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrimidine-5-carbonitrile Traditional Name: 4-chloro-2-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]pyrimidine-5-carbonitrile Formula: C8H8ClN3 MolecularWeight: 188.665352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(C(=N1)Cl)C#N

Isomeric SMILES

[2H]C([2H])([2H])C([2H])(C1=NC=C(C(=N1)Cl)C#N)C([2H])([2H])[2H]

InChI

InChI=1S/C8H8ClN3/c1-5(2)8-11-4-6(3-10)7(9)12-8/h4-5H,1-2H3/i1D3,2D3,5D