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

Systemtic Name: 1,7-bis[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(2-chlorobenzyl)-8-(3-methoxypropylamino)-3-methyl-xanthine Formula: C24H25Cl2N5O3 MolecularWeight: 502.393

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3Cl)N(C(=N2)NCCCOC)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3Cl)N(C(=N2)NCCCOC)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H25Cl2N5O3/c1-29-21-20(22(32)31(24(29)33)15-17-9-4-6-11-19(17)26)30(14-16-8-3-5-10-18(16)25)23(28-21)27-12-7-13-34-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,27,28)