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

Systemtic Name: 7-decyl-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-decyl-3-methyl-8-[(N'E)-N'-[1-(3-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C24H33N7O4 MolecularWeight: 483.56332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N/N=C(\C)/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C24H33N7O4/c1-4-5-6-7-8-9-10-11-15-30-20-21(29(3)24(33)26-22(20)32)25-23(30)28-27-17(2)18-13-12-14-19(16-18)31(34)35/h12-14,16H,4-11,15H2,1-3H3,(H,25,28)(H,26,32,33)/b27-17+