7-butyl-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-[4-(4-fluorobenzyl)piperazino]-3-methyl-xanthine Formula: C21H27FN6O2 MolecularWeight: 414.476483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=C(C=C4)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=C(C=C4)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27FN6O2/c1-3-4-9-28-17-18(25(2)21(30)24-19(17)29)23-20(28)27-12-10-26(11-13-27)14-15-5-7-16(22)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,24,29,30)