1,3-dimethyl-8-nitro-9-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-9-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Openeye Name: 9-[2-(4-isopropylphenyl)-2-oxo-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-9-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-9-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Traditional Name: 9-(2-keto-2-p-cumenyl-ethyl)-1,3-dimethyl-8-nitro-xanthine Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-10(2)11-5-7-12(8-6-11)13(24)9-22-15-14(19-17(22)23(27)28)16(25)21(4)18(26)20(15)3/h5-8,10H,9H2,1-4H3