7-methyl-1,3-bis(3-methylbutyl)-8-nitro-purine-2,6-dione

Systemtic Name: 7-methyl-1,3-bis(3-methylbutyl)-8-nitro-purine-2,6-dione Openeye Name: 1,3-diisopentyl-7-methyl-8-nitro-purine-2,6-dione CAS Name: 7-methyl-1,3-bis(3-methylbutyl)-8-nitropurine-2,6-dione IUPAC Name: 7-methyl-1,3-bis(3-methylbutyl)-8-nitropurine-2,6-dione Traditional Name: 1,3-diisoamyl-7-methyl-8-nitro-xanthine Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C(=O)N(C1=O)CCC(C)C)N(C(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC(C)CCN1C2=C(C(=O)N(C1=O)CCC(C)C)N(C(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C16H25N5O4/c1-10(2)6-8-19-13-12(18(5)15(17-13)21(24)25)14(22)20(16(19)23)9-7-11(3)4/h10-11H,6-9H2,1-5H3