5-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(2-fluorobenzyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]amine Formula: C14H14FN7 MolecularWeight: 299.306263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(N=C(N=C2N)CN3C=NC=N3)N)F

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(N=C(N=C2N)CN3C=NC=N3)N)F

InChI

InChI=1S/C14H14FN7/c15-11-4-2-1-3-9(11)5-10-13(16)20-12(21-14(10)17)6-22-8-18-7-19-22/h1-4,7-8H,5-6H2,(H4,16,17,20,21)