5-hexyl-2-(3-nitro-4-pentyl-phenyl)pyrimidine

Systemtic Name: 5-hexyl-2-(3-nitro-4-pentyl-phenyl)pyrimidine Openeye Name: 5-hexyl-2-(3-nitro-4-pentyl-phenyl)pyrimidine CAS Name: 5-hexyl-2-(3-nitro-4-pentylphenyl)pyrimidine IUPAC Name: 5-hexyl-2-(3-nitro-4-pentylphenyl)pyrimidine Traditional Name: 2-(4-amyl-3-nitro-phenyl)-5-hexyl-pyrimidine Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)CCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)CCCCC)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O2/c1-3-5-7-9-10-17-15-22-21(23-16-17)19-13-12-18(11-8-6-4-2)20(14-19)24(25)26/h12-16H,3-11H2,1-2H3