8-bromanyl-1,3-dimethyl-7-(2-oxidanylidene-1,2-diphenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanylidene-1,2-diphenyl-ethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-(2-oxo-1,2-diphenyl-ethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-(2-oxo-1,2-diphenylethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-(2-oxo-1,2-diphenylethyl)purine-2,6-dione Traditional Name: 8-bromo-7-desyl-1,3-dimethyl-xanthine Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O3/c1-24-18-16(19(28)25(2)21(24)29)26(20(22)23-18)15(13-9-5-3-6-10-13)17(27)14-11-7-4-8-12-14/h3-12,15H,1-2H3