3-methyl-8-nitro-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-nitro-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-nitro-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-nitro-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-nitro-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-nitro-xanthine Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15N5O4/c1-3-4-5-6-15-7-8(12-10(15)16(19)20)14(2)11(18)13-9(7)17/h3-6H2,1-2H3,(H,13,17,18)