7-[(2-chlorophenyl)methyl]-8-[2-(2-hydroxyethyloxy)ethylamino]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[2-(2-hydroxyethyloxy)ethylamino]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[2-(2-hydroxyethoxy)ethylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[2-(2-hydroxyethoxy)ethylamino]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-xanthine Formula: C17H20ClN5O4 MolecularWeight: 393.8248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCOCCO)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCOCCO)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN5O4/c1-22-14-13(15(25)21-17(22)26)23(10-11-4-2-3-5-12(11)18)16(20-14)19-6-8-27-9-7-24/h2-5,24H,6-10H2,1H3,(H,19,20)(H,21,25,26)