1,3-dimethyl-8-nitro-9-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-9-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-9-[[2-(2-thienyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-9-[(2-thiophen-2-yl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-9-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-9-[[2-(2-thienyl)oxazol-4-yl]methyl]xanthine Formula: C15H12N6O5S MolecularWeight: 388.35798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O5S/c1-18-12-10(13(22)19(2)15(18)23)17-14(21(24)25)20(12)6-8-7-26-11(16-8)9-4-3-5-27-9/h3-5,7H,6H2,1-2H3