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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

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