7-[(4-fluorophenyl)methyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-(2-furanylmethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(2-furfurylamino)-3-methyl-xanthine Formula: C18H16FN5O3 MolecularWeight: 369.349743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C18H16FN5O3/c1-23-15-14(16(25)22-18(23)26)24(10-11-4-6-12(19)7-5-11)17(21-15)20-9-13-3-2-8-27-13/h2-8H,9-10H2,1H3,(H,20,21)(H,22,25,26)