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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-8-(isobutylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-8-(isobutylamino)-1,3-dimethyl-xanthine Formula: C18H21ClFN5O2 MolecularWeight: 393.843043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H21ClFN5O2/c1-10(2)8-21-17-22-15-14(16(26)24(4)18(27)23(15)3)25(17)9-11-12(19)6-5-7-13(11)20/h5-7,10H,8-9H2,1-4H3,(H,21,22)