3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(1-naphthylmethyl)xanthine Formula: C25H20Cl2N4O2 MolecularWeight: 479.3579

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C25H20Cl2N4O2/c1-3-21-28-23-22(30(21)14-16-9-6-8-15-7-4-5-10-18(15)16)24(32)29(2)25(33)31(23)20-12-11-17(26)13-19(20)27/h4-13H,3,14H2,1-2H3