7-butyl-8-(4-chlorophenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(4-chlorophenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-(4-chlorophenyl)-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-(4-chlorophenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-(4-chlorophenyl)-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-(4-chlorophenyl)-3-propyl-xanthine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CCC

InChI

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