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

Systemtic Name: 7-dodecyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C25H35N7O4 MolecularWeight: 497.5899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C25H35N7O4/c1-3-4-5-6-7-8-9-10-11-12-17-31-21-22(30(2)25(34)28-23(21)33)27-24(31)29-26-18-19-13-15-20(16-14-19)32(35)36/h13-16,18H,3-12,17H2,1-2H3,(H,27,29)(H,28,33,34)/b26-18+