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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione Openeye Name: 8-(4-allylpiperazin-1-yl)-7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-prop-2-enyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione Traditional Name: 8-(4-allylpiperazino)-7-(2-chloro-6-fluoro-benzyl)-3-methyl-xanthine Formula: C20H22ClFN6O2 MolecularWeight: 432.879083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H22ClFN6O2/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/h3-6H,1,7-12H2,2H3,(H,24,29,30)