7-heptyl-3-methyl-8-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-[2-[3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[2-[3-(5-nitro-2-furanyl)prop-2-enylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-[2-[3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-[N'-[3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]xanthine Formula: C20H25N7O5 MolecularWeight: 443.4564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=CC=CC3=CC=C(O3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NN=CC=CC3=CC=C(O3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25N7O5/c1-3-4-5-6-7-13-26-16-17(25(2)20(29)23-18(16)28)22-19(26)24-21-12-8-9-14-10-11-15(32-14)27(30)31/h8-12H,3-7,13H2,1-2H3,(H,22,24)(H,23,28,29)