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

Systemtic Name: 7-heptyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25N7O4/c1-3-4-5-6-7-11-26-16-17(25(2)20(29)23-18(16)28)22-19(26)24-21-13-14-9-8-10-15(12-14)27(30)31/h8-10,12-13H,3-7,11H2,1-2H3,(H,22,24)(H,23,28,29)/b21-13+