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

Systemtic Name: 7-butyl-8-(4-chlorophenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(4-chlorophenyl)purine-2,6-dione CAS Name: 7-butyl-8-(4-chlorophenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(4-chlorophenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-(4-chlorophenyl)xanthine Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2/c1-2-3-13-26-18-20(24-19(26)16-9-11-17(23)12-10-16)27(22(29)25-21(18)28)14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,25,28,29)