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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-(pentylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C19H23ClFN5O2 MolecularWeight: 407.869623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCNC1=NC2=C(N1CC3=C(C=CC=C3Cl)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H23ClFN5O2/c1-4-5-6-10-22-18-23-16-15(17(27)25(3)19(28)24(16)2)26(18)11-12-13(20)8-7-9-14(12)21/h7-9H,4-6,10-11H2,1-3H3,(H,22,23)