8-[(1R,2R)-2-azanylcyclohexyl]oxy-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-[(1R,2R)-2-azanylcyclohexyl]oxy-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione Openeye Name: 8-[(1R,2R)-2-aminocyclohexoxy]-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-[(1R,2R)-2-aminocyclohexyl]oxy-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione IUPAC Name: 8-[(1R,2R)-2-aminocyclohexyl]oxy-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 8-[(1R,2R)-2-aminocyclohexoxy]-7-(2-chlorobenzyl)-3-methyl-1-phenacyl-xanthine Formula: C27H28ClN5O4 MolecularWeight: 521.99532

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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)OC4CCCCC4N)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)O[C@@H]4CCCC[C@H]4N)CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H28ClN5O4/c1-31-24-23(25(35)33(27(31)36)16-21(34)17-9-3-2-4-10-17)32(15-18-11-5-6-12-19(18)28)26(30-24)37-22-14-8-7-13-20(22)29/h2-6,9-12,20,22H,7-8,13-16,29H2,1H3/t20-,22-/m1/s1