3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NN=CC3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N7O4/c1-11(2)8-9-24-14-15(23(3)18(27)21-16(14)26)20-17(24)22-19-10-12-4-6-13(7-5-12)25(28)29/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)(H,21,26,27)/b19-10+