3-(2-chlorophenyl)-1-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-chlorophenyl)-1-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-(2-chlorophenyl)-1-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-chlorophenyl)-1-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-3-(2-chlorophenyl)-1-(2-methoxyethyl)xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4Cl

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4Cl

InChI

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