2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoranyl-4-pentoxy-phenyl)guanidine

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoranyl-4-pentoxy-phenyl)guanidine Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxy-phenyl)guanidine CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-(3-fluoro-4-pentoxyphenyl)guanidine IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(3-fluoro-4-pentoxyphenyl)guanidine Traditional Name: 1-(4-amoxy-3-fluoro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C18H24FN5O MolecularWeight: 345.414463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=NC2=NC(=CC(=N2)C)C)N)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N)F

InChI

InChI=1S/C18H24FN5O/c1-4-5-6-9-25-16-8-7-14(11-15(16)19)23-17(20)24-18-21-12(2)10-13(3)22-18/h7-8,10-11H,4-6,9H2,1-3H3,(H3,20,21,22,23,24)