2-[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl dihydrogen phosphate Openeye Name: 2-(8-bromo-3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl dihydrogen phosphate CAS Name: 2-(8-bromo-3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl dihydrogen phosphate IUPAC Name: 2-(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl dihydrogen phosphate Traditional Name: 2-(8-bromo-2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl dihydrogen phosphate Formula: C9H12BrN4O6P MolecularWeight: 383.092541

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCOP(=O)(O)O)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCOP(=O)(O)O)C

InChI

InChI=1S/C9H12BrN4O6P/c1-12-5-6(11-8(12)10)13(2)9(16)14(7(5)15)3-4-20-21(17,18)19/h3-4H2,1-2H3,(H2,17,18,19)