8-bromanyl-1,3-dimethyl-9-[(2-methyl-3-nitro-phenyl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(2-methyl-3-nitro-phenyl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(2-methyl-3-nitro-phenyl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(2-methyl-3-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(2-methyl-3-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-(2-methyl-3-nitro-benzyl)xanthine Formula: C15H14BrN5O4 MolecularWeight: 408.20676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C15H14BrN5O4/c1-8-9(5-4-6-10(8)21(24)25)7-20-12-11(17-14(20)16)13(22)19(3)15(23)18(12)2/h4-6H,7H2,1-3H3