2-azanyl-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide

Systemtic Name: 2-azanyl-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide Openeye Name: 2-amino-N-[(4-fluorophenyl)methyl]-6-(2-furyl)purine-9-carboxamide CAS Name: 2-amino-N-[(4-fluorophenyl)methyl]-6-(2-furanyl)-9-purinecarboxamide IUPAC Name: 2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide Traditional Name: 2-amino-N-(4-fluorobenzyl)-6-(2-furyl)purine-9-carboxamide Formula: C17H13FN6O2 MolecularWeight: 352.322523

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C3C(=NC(=N2)N)N(C=N3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=COC(=C1)C2=C3C(=NC(=N2)N)N(C=N3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C17H13FN6O2/c18-11-5-3-10(4-6-11)8-20-17(25)24-9-21-14-13(12-2-1-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23)