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

Systemtic Name: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C20H17N7O4 MolecularWeight: 419.39348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H17N7O4/c1-25-17-16(18(28)23-20(25)29)26(12-14-5-3-2-4-6-14)19(22-17)24-21-11-13-7-9-15(10-8-13)27(30)31/h2-11H,12H2,1H3,(H,22,24)(H,23,28,29)/b21-11+