7-hexyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[N'-[1-(3-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

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