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

Systemtic Name: 8-(2-azanylethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C15H17FN6O2 MolecularWeight: 332.332883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN)CC3=CC=C(C=C3)F

InChI

InChI=1S/C15H17FN6O2/c1-21-12-11(13(23)20-15(21)24)22(14(19-12)18-7-6-17)8-9-2-4-10(16)5-3-9/h2-5H,6-8,17H2,1H3,(H,18,19)(H,20,23,24)