8-(2-azanylethoxy)-7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethoxy)-7-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione Openeye Name: 8-(2-aminoethoxy)-7-[(2-chloro-4-fluoro-phenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-(2-aminoethoxy)-7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione IUPAC Name: 8-(2-aminoethoxy)-7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 8-(2-aminoethoxy)-7-(2-chloro-4-fluoro-benzyl)-3-methyl-1-phenacyl-xanthine Formula: C23H21ClFN5O4 MolecularWeight: 485.895343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)OCCN)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)OCCN)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H21ClFN5O4/c1-28-20-19(21(32)30(23(28)33)13-18(31)14-5-3-2-4-6-14)29(22(27-20)34-10-9-26)12-15-7-8-16(25)11-17(15)24/h2-8,11H,9-10,12-13,26H2,1H3