8-bromanyl-7-diphenoxyphosphoryl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-diphenoxyphosphoryl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-diphenoxyphosphoryl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-diphenoxyphosphoryl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-diphenoxyphosphoryl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-diphenoxyphosphoryl-1,3-dimethyl-xanthine Formula: C19H16BrN4O5P MolecularWeight: 491.231901

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C19H16BrN4O5P/c1-22-16-15(17(25)23(2)19(22)26)24(18(20)21-16)30(27,28-13-9-5-3-6-10-13)29-14-11-7-4-8-12-14/h3-12H,1-2H3