1-(2-butylpyrimidin-5-yl)-4-hexyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-butylpyrimidin-5-yl)-4-hexyl-cyclohexane-1-carbonitrile Openeye Name: 1-(2-butylpyrimidin-5-yl)-4-hexyl-cyclohexanecarbonitrile CAS Name: 1-(2-butyl-5-pyrimidinyl)-4-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-butylpyrimidin-5-yl)-4-hexylcyclohexane-1-carbonitrile Traditional Name: 1-(2-butylpyrimidin-5-yl)-4-hexyl-cyclohexanecarbonitrile Formula: C21H33N3 MolecularWeight: 327.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)(C#N)C2=CN=C(N=C2)CCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)(C#N)C2=CN=C(N=C2)CCCC

InChI

InChI=1S/C21H33N3/c1-3-5-7-8-9-18-11-13-21(17-22,14-12-18)19-15-23-20(24-16-19)10-6-4-2/h15-16,18H,3-14H2,1-2H3