4-butyl-1-(5-hexylpyrimidin-2-yl)cyclohexane-1-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2(CCC(CC2)CCCC)C#N

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2(CCC(CC2)CCCC)C#N

InChI

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