8-(3-azanylpropylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(3-aminopropylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-aminopropylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopropylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopropylamino)-1-(4-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C17H21FN6O2 MolecularWeight: 360.386043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCN)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CN1C2=C(N=C1NCCCN)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C17H21FN6O2/c1-22-13-14(21-16(22)20-9-3-8-19)23(2)17(26)24(15(13)25)10-11-4-6-12(18)7-5-11/h4-7H,3,8-10,19H2,1-2H3,(H,20,21)