3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylene]hydrazino]-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[(N'Z)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N/N=C\C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N7O4/c1-3-4-5-9-24-14-15(23(2)18(27)21-16(14)26)20-17(24)22-19-11-12-7-6-8-13(10-12)25(28)29/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,22)(H,21,26,27)/b19-11-