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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(2,2-dimethoxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(2,2-dimethoxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(2,2-dimethoxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(2,2-dimethoxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(2,2-dimethoxyethylamino)-1,3-dimethyl-xanthine Formula: C18H22ClN5O4 MolecularWeight: 407.85138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(OC)OC)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(OC)OC)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN5O4/c1-22-15-14(16(25)23(2)18(22)26)24(10-11-5-7-12(19)8-6-11)17(21-15)20-9-13(27-3)28-4/h5-8,13H,9-10H2,1-4H3,(H,20,21)