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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3-methoxypropylamino)-3-methyl-xanthine Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN5O3/c1-22-14-13(15(24)21-17(22)25)23(10-11-6-3-4-7-12(11)18)16(20-14)19-8-5-9-26-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,19,20)(H,21,24,25)