8-[(4-methoxy-3-nitro-phenyl)methyl-[(E)-naphthalen-1-ylmethylideneamino]amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-methoxy-3-nitro-phenyl)methyl-[(E)-naphthalen-1-ylmethylideneamino]amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-methoxy-3-nitro-phenyl)methyl-[(E)-1-naphthylmethyleneamino]amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4-methoxy-3-nitrophenyl)methyl-[(E)-1-naphthalenylmethylideneamino]amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-methoxy-3-nitrophenyl)methyl-[(E)-naphthalen-1-ylmethylideneamino]amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-methoxy-3-nitro-benzyl)-[(E)-1-naphthylmethyleneamino]amino]-1,3,7-trimethyl-xanthine Formula: C27H25N7O5 MolecularWeight: 527.5313

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(CC3=CC(=C(C=C3)OC)[N+](=O)[O-])N=CC4=CC=CC5=CC=CC=C54)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N(CC3=CC(=C(C=C3)OC)[N+](=O)[O-])/N=C/C4=CC=CC5=CC=CC=C54)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C27H25N7O5/c1-30-23-24(31(2)27(36)32(3)25(23)35)29-26(30)33(16-17-12-13-22(39-4)21(14-17)34(37)38)28-15-19-10-7-9-18-8-5-6-11-20(18)19/h5-15H,16H2,1-4H3/b28-15+