1-[(2-diazanylimidazol-2-yl)methyl]-7-ethanoyl-3-methyl-purine-2,6-dione

Systemtic Name: 1-[(2-diazanylimidazol-2-yl)methyl]-7-ethanoyl-3-methyl-purine-2,6-dione Openeye Name: 7-acetyl-1-[(2-hydrazinoimidazol-2-yl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-acetyl-1-[(2-hydrazinyl-2-imidazolyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-acetyl-1-[(2-hydrazinylimidazol-2-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-acetyl-1-[(2-hydrazinoimidazol-2-yl)methyl]-3-methyl-xanthine Formula: C12H14N8O3 MolecularWeight: 318.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CC3(N=CC=N3)NN

Isomeric SMILES

CC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)CC3(N=CC=N3)NN

InChI

InChI=1S/C12H14N8O3/c1-7(21)20-6-14-9-8(20)10(22)19(11(23)18(9)2)5-12(17-13)15-3-4-16-12/h3-4,6,17H,5,13H2,1-2H3