8-[(4-chlorophenyl)methylamino]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylamino]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-[(4-chlorophenyl)methylamino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylamino]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-[(4-chlorophenyl)methylamino]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-[(4-chlorobenzyl)amino]-3,7-dimethyl-xanthine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H20ClN5O2/c1-25-17-18(24-20(25)23-12-14-8-10-16(22)11-9-14)26(2)21(29)27(19(17)28)13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,24)