8-bromanyl-7-methyl-3-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-7-methyl-3-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-bromo-7-methyl-3-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-bromo-7-methyl-3-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-7-methyl-3-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-bromo-7-methyl-3-(4-nitrobenzyl)xanthine Formula: C13H10BrN5O4 MolecularWeight: 380.1536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10BrN5O4/c1-17-9-10(15-12(17)14)18(13(21)16-11(9)20)6-7-2-4-8(5-3-7)19(22)23/h2-5H,6H2,1H3,(H,16,20,21)