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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-4-5-11-6-8-12(9-7-11)13(24)10-22-15-14(19-17(22)23(27)28)16(25)21(3)18(26)20(15)2/h6-9H,4-5,10H2,1-3H3