8-[2,3-bis(chloranyl)phenyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2,3-bis(chloranyl)phenyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-8-(2,3-dichlorophenyl)purine-2,6-dione CAS Name: 7-cyclopentyl-8-(2,3-dichlorophenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-8-(2,3-dichlorophenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-8-(2,3-dichlorophenyl)xanthine Formula: C23H20Cl2N4O2 MolecularWeight: 455.3365

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(N=C2C4=C(C(=CC=C4)Cl)Cl)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C3=C(N=C2C4=C(C(=CC=C4)Cl)Cl)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H20Cl2N4O2/c24-17-12-6-11-16(18(17)25)20-26-21-19(29(20)15-9-4-5-10-15)22(30)27-23(31)28(21)13-14-7-2-1-3-8-14/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H,27,30,31)