7-methyl-8-nitro-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-methyl-8-nitro-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-methyl-8-nitro-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-8-nitro-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-methyl-8-nitro-1,3-dipropylpurine-2,6-dione Traditional Name: 7-methyl-8-nitro-1,3-dipropyl-xanthine Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C12H17N5O4/c1-4-6-15-9-8(14(3)11(13-9)17(20)21)10(18)16(7-5-2)12(15)19/h4-7H2,1-3H3