7-hexadecyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C29H43N7O4 MolecularWeight: 553.69622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C29H43N7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-25-26(34(2)29(38)32-27(25)37)31-28(35)33-30-22-23-18-17-19-24(21-23)36(39)40/h17-19,21-22H,3-16,20H2,1-2H3,(H,31,33)(H,32,37,38)/b30-22+