8-[(3-bromophenyl)methyl-[(E)-naphthalen-1-ylmethylideneamino]amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(3-bromophenyl)methyl-[(E)-naphthalen-1-ylmethylideneamino]amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(3-bromophenyl)methyl-[(E)-1-naphthylmethyleneamino]amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(3-bromophenyl)methyl-[(E)-1-naphthalenylmethylideneamino]amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(3-bromophenyl)methyl-[(E)-naphthalen-1-ylmethylideneamino]amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(3-bromobenzyl)-[(E)-1-naphthylmethyleneamino]amino]-1,3,7-trimethyl-xanthine Formula: C26H23BrN6O2 MolecularWeight: 531.40382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(CC3=CC(=CC=C3)Br)N=CC4=CC=CC5=CC=CC=C54)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N(CC3=CC(=CC=C3)Br)/N=C/C4=CC=CC5=CC=CC=C54)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C26H23BrN6O2/c1-30-22-23(31(2)26(35)32(3)24(22)34)29-25(30)33(16-17-8-6-12-20(27)14-17)28-15-19-11-7-10-18-9-4-5-13-21(18)19/h4-15H,16H2,1-3H3/b28-15+