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

Systemtic Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C16H17N7O4 MolecularWeight: 371.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17N7O4/c1-9(2)22-12-13(21(3)16(25)19-14(12)24)18-15(22)20-17-8-10-5-4-6-11(7-10)23(26)27/h4-9H,1-3H3,(H,18,20)(H,19,24,25)/b17-8+