1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C15H19N7O4 MolecularWeight: 361.35586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N7O4/c1-9-11(22(25)26)10(2)21(17-9)7-5-6-20-14(23)12-13(16-8-18(12)3)19(4)15(20)24/h8H,5-7H2,1-4H3