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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[(2-methoxyethylamino)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[(2-methoxyethylamino)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[(2-methoxyethylamino)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[(2-methoxyethylamino)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[(2-methoxyethylamino)methyl]-1,3-dimethyl-xanthine Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNCCOC)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNCCOC)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H22ClN5O3/c1-22-16-15(17(25)23(2)18(22)26)24(11-12-6-4-5-7-13(12)19)14(21-16)10-20-8-9-27-3/h4-7,20H,8-11H2,1-3H3