8-(3-azanylpropylamino)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylamino)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-aminopropylamino)-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-aminopropylamino)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopropylamino)-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopropylamino)-7-(3-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C17H21FN6O2 MolecularWeight: 360.386043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN)CC3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN)CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H21FN6O2/c1-22-14-13(15(25)23(2)17(22)26)24(16(21-14)20-8-4-7-19)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10,19H2,1-2H3,(H,20,21)