1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-(4-chlorobenzyl)-8-(2-hydroxyethylamino)-3-methyl-xanthine Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)NCCO)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)NCCO)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O3/c1-26-19-18(20(30)28(22(26)31)14-16-7-9-17(23)10-8-16)27(21(25-19)24-11-12-29)13-15-5-3-2-4-6-15/h2-10,29H,11-14H2,1H3,(H,24,25)