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

Systemtic Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(2-methoxyethylamino)-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(2-methoxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(2-methoxyethylamino)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis[(4-chlorophenyl)methyl]-8-(2-methoxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(4-chlorobenzyl)-8-(2-methoxyethylamino)-3-methyl-xanthine Formula: C23H23Cl2N5O3 MolecularWeight: 488.36642

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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)NCCOC)CC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N5O3/c1-28-20-19(21(31)30(23(28)32)14-16-5-9-18(25)10-6-16)29(22(27-20)26-11-12-33-2)13-15-3-7-17(24)8-4-15/h3-10H,11-14H2,1-2H3,(H,26,27)