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

Systemtic Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[(E)-3-(5-nitro-2-furanyl)prop-2-enylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-[(N'Z)-N'-[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]hydrazino]xanthine Formula: C25H35N7O5 MolecularWeight: 513.5893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=CC=CC3=CC=C(O3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N/N=C\C=C\C3=CC=C(O3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C25H35N7O5/c1-3-4-5-6-7-8-9-10-11-12-18-31-21-22(30(2)25(34)28-23(21)33)27-24(31)29-26-17-13-14-19-15-16-20(37-19)32(35)36/h13-17H,3-12,18H2,1-2H3,(H,27,29)(H,28,33,34)/b14-13+,26-17-