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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-nitro-purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-nitro-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-nitropurine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-nitropurine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-nitro-xanthine Formula: C11H15N5O4 MolecularWeight: 281.2679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15N5O4/c1-6(2)4-5-15-7-8(12-10(15)16(19)20)14(3)11(18)13-9(7)17/h6H,4-5H2,1-3H3,(H,13,17,18)