7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-(4-pentylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-(4-pentylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-8-(4-pentylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-pentyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-pentylpiperazin-1-yl)purine-2,6-dione Traditional Name: 8-(4-amylpiperazino)-7-(2-chloro-6-fluoro-benzyl)-3-methyl-xanthine Formula: C22H28ClFN6O2 MolecularWeight: 462.948123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H28ClFN6O2/c1-3-4-5-9-28-10-12-29(13-11-28)21-25-19-18(20(31)26-22(32)27(19)2)30(21)14-15-16(23)7-6-8-17(15)24/h6-8H,3-5,9-14H2,1-2H3,(H,26,31,32)