5-bromanyl-1-[(2S,3R)-4-diphenylphosphoryl-3-methyl-2,3-bis(oxidanyl)butyl]pyrimidine-2,4-dione

Systemtic Name: 5-bromanyl-1-[(2S,3R)-4-diphenylphosphoryl-3-methyl-2,3-bis(oxidanyl)butyl]pyrimidine-2,4-dione Openeye Name: 5-bromo-1-[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methyl-butyl]pyrimidine-2,4-dione CAS Name: 5-bromo-1-[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methylbutyl]pyrimidine-2,4-dione IUPAC Name: 5-bromo-1-[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methylbutyl]pyrimidine-2,4-dione Traditional Name: 5-bromo-1-[(2S,3R)-4-diphenylphosphoryl-2,3-dihydroxy-3-methyl-butyl]pyrimidine-2,4-quinone Formula: C21H22BrN2O5P MolecularWeight: 493.287541

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Descriptors Computed from Structure

Canonical SMILES:

CC(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(C(CN3C=C(C(=O)NC3=O)Br)O)O

Isomeric SMILES

C[C@](CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)([C@H](CN3C=C(C(=O)NC3=O)Br)O)O

InChI

InChI=1S/C21H22BrN2O5P/c1-21(28,18(25)13-24-12-17(22)19(26)23-20(24)27)14-30(29,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18,25,28H,13-14H2,1H3,(H,23,26,27)/t18-,21-/m0/s1