3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C24H19N7O4 MolecularWeight: 469.45216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H19N7O4/c1-29-21-20(22(32)27-24(29)33)30(14-17-7-4-6-16-5-2-3-8-19(16)17)23(26-21)28-25-13-15-9-11-18(12-10-15)31(34)35/h2-13H,14H2,1H3,(H,26,28)(H,27,32,33)/b25-13+