8-[5-(4-chlorophenyl)furan-2-yl]-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-[5-(4-chlorophenyl)furan-2-yl]-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-[5-(4-chlorophenyl)-2-furyl]-7-propyl-purine-2,6-dione CAS Name: 8-[5-(4-chlorophenyl)-2-furanyl]-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-[5-(4-chlorophenyl)furan-2-yl]-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-[5-(4-chlorophenyl)-2-furyl]-7-propyl-xanthine Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=C(O3)C4=CC=C(C=C4)Cl)N(C(=O)NC2=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=C(O3)C4=CC=C(C=C4)Cl)N(C(=O)NC2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H21ClN4O3/c1-2-14-29-21-23(30(25(32)28-24(21)31)15-16-6-4-3-5-7-16)27-22(29)20-13-12-19(33-20)17-8-10-18(26)11-9-17/h3-13H,2,14-15H2,1H3,(H,28,31,32)