8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H22ClN5O2 MolecularWeight: 459.92748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H22ClN5O2/c1-29-22-21(23(32)30(2)25(29)33)31(15-18-11-7-10-16-8-3-5-12-19(16)18)24(28-22)27-14-17-9-4-6-13-20(17)26/h3-13H,14-15H2,1-2H3,(H,27,28)