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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-methyl-8-piperazino-xanthine Formula: C17H18ClFN6O2 MolecularWeight: 392.815223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C17H18ClFN6O2/c1-23-14-13(15(26)22-17(23)27)25(9-10-11(18)3-2-4-12(10)19)16(21-14)24-7-5-20-6-8-24/h2-4,20H,5-9H2,1H3,(H,22,26,27)