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

Systemtic Name: 8-(3-chlorophenyl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3-chlorophenyl)-7-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-(3-chlorophenyl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-chlorophenyl)-7-(3-methoxypropyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(3-chlorophenyl)-7-(3-methoxypropyl)xanthine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CC(=CC=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CC(=CC=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O3/c1-30-12-6-11-26-18-20(24-19(26)16-9-5-10-17(23)13-16)27(22(29)25-21(18)28)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,25,28,29)