8-bromanyl-1,3-dimethyl-7-(2-oxidanylidenepropyl)-4,5-dihydropurine-2,6-dione hydrate

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-(2-oxidanylidenepropyl)-4,5-dihydropurine-2,6-dione hydrate Openeye Name: 7-acetonyl-8-bromo-1,3-dimethyl-4,5-dihydropurine-2,6-dione hydrate CAS Name: 8-bromo-1,3-dimethyl-7-(2-oxopropyl)-4,5-dihydropurine-2,6-dione hydrate IUPAC Name: 8-bromo-1,3-dimethyl-7-(2-oxopropyl)-4,5-dihydropurine-2,6-dione hydrate Traditional Name: 7-acetonyl-8-bromo-1,3-dimethyl-4,5-dihydropurine-2,6-quinone hydrate Formula: C10H15BrN4O4 MolecularWeight: 335.1545

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2C(N=C1Br)N(C(=O)N(C2=O)C)C.O

Isomeric SMILES

CC(=O)CN1C2C(N=C1Br)N(C(=O)N(C2=O)C)C.O

InChI

InChI=1S/C10H13BrN4O3.H2O/c1-5(16)4-15-6-7(12-9(15)11)13(2)10(18)14(3)8(6)17;/h6-7H,4H2,1-3H3;1H2