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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-8-ethyl-7-methyl-3-propyl-xanthine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N(C(=N2)CC)C

InChI

InChI=1S/C18H21ClN4O2/c1-4-9-22-16-15(21(3)14(5-2)20-16)17(24)23(18(22)25)11-12-7-6-8-13(19)10-12/h6-8,10H,4-5,9,11H2,1-3H3