3-butyl-8-[5-(2-chlorophenyl)furan-2-yl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[5-(2-chlorophenyl)furan-2-yl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[5-(2-chlorophenyl)-2-furyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[5-(2-chlorophenyl)-2-furanyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[5-(2-chlorophenyl)furan-2-yl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[5-(2-chlorophenyl)-2-furyl]-7-methyl-xanthine Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C20H19ClN4O3/c1-3-4-11-25-18-16(19(26)23-20(25)27)24(2)17(22-18)15-10-9-14(28-15)12-7-5-6-8-13(12)21/h5-10H,3-4,11H2,1-2H3,(H,23,26,27)