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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-propyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-propylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-methyl-8-(4-propylpiperazino)xanthine Formula: C20H24ClFN6O2 MolecularWeight: 434.894963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C

Isomeric SMILES

CCCN1CCN(CC1)C2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H24ClFN6O2/c1-3-7-26-8-10-27(11-9-26)19-23-17-16(18(29)24-20(30)25(17)2)28(19)12-13-14(21)5-4-6-15(13)22/h4-6H,3,7-12H2,1-2H3,(H,24,29,30)