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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

InChI

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