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

Systemtic Name: 7-heptyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-[N'-[1-(3-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O4/c1-4-5-6-7-8-12-27-17-18(26(3)21(30)23-19(17)29)22-20(27)25-24-14(2)15-10-9-11-16(13-15)28(31)32/h9-11,13H,4-8,12H2,1-3H3,(H,22,25)(H,23,29,30)