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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-[(dipropylamino)methyl]-3-methyl-xanthine Formula: C20H25ClFN5O2 MolecularWeight: 421.896203

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)NC(=O)N2C

Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H25ClFN5O2/c1-4-9-26(10-5-2)12-16-23-18-17(19(28)24-20(29)25(18)3)27(16)11-13-14(21)7-6-8-15(13)22/h6-8H,4-5,9-12H2,1-3H3,(H,24,28,29)