3-butyl-1-[2-(3-chloranylphenoxy)ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[2-(3-chloranylphenoxy)ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[2-(3-chlorophenoxy)ethyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-1-[2-(3-chlorophenoxy)ethyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[2-(3-chlorophenoxy)ethyl]-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[2-(3-chlorophenoxy)ethyl]-7-(2-furfuryl)xanthine Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCOC3=CC(=CC=C3)Cl)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCOC3=CC(=CC=C3)Cl)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C22H23ClN4O4/c1-2-3-9-26-20-19(25(15-24-20)14-18-8-5-11-30-18)21(28)27(22(26)29)10-12-31-17-7-4-6-16(23)13-17/h4-8,11,13,15H,2-3,9-10,12,14H2,1H3