8-diazanyl-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 8-diazanyl-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-hydrazino-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-hydrazinyl-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-hydrazinyl-3-methyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-hydrazino-3-methyl-7-(4-nitrobenzyl)xanthine Formula: C13H13N7O4 MolecularWeight: 331.28682

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N7O4/c1-18-10-9(11(21)16-13(18)22)19(12(15-10)17-14)6-7-2-4-8(5-3-7)20(23)24/h2-5H,6,14H2,1H3,(H,15,17)(H,16,21,22)