8-bromanyl-9-[(4-fluorophenyl)methyl]-N2-(pyridin-4-ylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-[(4-fluorophenyl)methyl]-N2-(pyridin-4-ylmethyl)purine-2,6-diamine Openeye Name: 8-bromo-9-[(4-fluorophenyl)methyl]-N2-(4-pyridylmethyl)purine-2,6-diamine CAS Name: 8-bromo-9-[(4-fluorophenyl)methyl]-N2-(pyridin-4-ylmethyl)purine-2,6-diamine IUPAC Name: 8-bromo-9-[(4-fluorophenyl)methyl]-2-N-(pyridin-4-ylmethyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(4-fluorobenzyl)purin-2-yl]-(4-pyridylmethyl)amine Formula: C18H15BrFN7 MolecularWeight: 428.261003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C(=NC(=N3)NCC4=CC=NC=C4)N)N=C2Br)F

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C(=NC(=N3)NCC4=CC=NC=C4)N)N=C2Br)F

InChI

InChI=1S/C18H15BrFN7/c19-17-24-14-15(21)25-18(23-9-11-5-7-22-8-6-11)26-16(14)27(17)10-12-1-3-13(20)4-2-12/h1-8H,9-10H2,(H3,21,23,25,26)