(8E)-8-(2-methyl-5-nitro-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: (8E)-8-(2-methyl-5-nitro-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione Openeye Name: (8E)-8-(2-methyl-5-nitro-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione CAS Name: (8E)-8-(2-methyl-5-nitro-1H-pyrazol-3-ylidene)-1,3-dipropylpurine-2,6-dione IUPAC Name: (8E)-8-(2-methyl-5-nitro-1H-pyrazol-3-ylidene)-1,3-dipropylpurine-2,6-dione Traditional Name: (8E)-8-(2-methyl-5-nitro-3-pyrazolin-3-ylidene)-1,3-dipropyl-xanthine Formula: C15H19N7O4 MolecularWeight: 361.35586

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=C(NN3C)[N+](=O)[O-])N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C/3\C=C(NN3C)[N+](=O)[O-])/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C15H19N7O4/c1-4-6-20-13-11(14(23)21(7-5-2)15(20)24)16-12(17-13)9-8-10(22(25)26)18-19(9)3/h8,18H,4-7H2,1-3H3/b12-9+