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

Systemtic Name: 8-(4-chlorophenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-chlorophenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-chlorophenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(4-chlorophenyl)-7-(2-methoxyethyl)xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN4O3/c1-29-12-11-25-17-19(23-18(25)15-7-9-16(22)10-8-15)26(21(28)24-20(17)27)13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,24,27,28)