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

Systemtic Name: 7-butyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[N'-[1-(3-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N7O4/c1-4-5-9-24-14-15(23(3)18(27)20-16(14)26)19-17(24)22-21-11(2)12-7-6-8-13(10-12)25(28)29/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H,20,26,27)