3-methyl-7-(2-methylpropyl)-8-nitro-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-nitro-purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-nitro-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-nitropurine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-nitropurine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-nitro-xanthine Formula: C10H13N5O4 MolecularWeight: 267.24132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C10H13N5O4/c1-5(2)4-14-6-7(11-9(14)15(18)19)13(3)10(17)12-8(6)16/h5H,4H2,1-3H3,(H,12,16,17)