(2-azanyl-2-methyl-propyl) 8-bromanyl-1-methyl-2,6-bis(oxidanylidene)-7H-purine-3-carboxylate

Systemtic Name: (2-azanyl-2-methyl-propyl) 8-bromanyl-1-methyl-2,6-bis(oxidanylidene)-7H-purine-3-carboxylate Openeye Name: (2-amino-2-methyl-propyl) 8-bromo-1-methyl-2,6-dioxo-7H-purine-3-carboxylate CAS Name: 8-bromo-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid (2-amino-2-methylpropyl) ester IUPAC Name: (2-amino-2-methylpropyl) 8-bromo-1-methyl-2,6-dioxo-7H-purine-3-carboxylate Traditional Name: 8-bromo-2,6-diketo-1-methyl-7H-purine-3-carboxylic acid (2-amino-2-methyl-propyl) ester Formula: C11H14BrN5O4 MolecularWeight: 360.16396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)N1C2=C(C(=O)N(C1=O)C)NC(=N2)Br)N

Isomeric SMILES

CC(C)(COC(=O)N1C2=C(C(=O)N(C1=O)C)NC(=N2)Br)N

InChI

InChI=1S/C11H14BrN5O4/c1-11(2,13)4-21-10(20)17-6-5(14-8(12)15-6)7(18)16(3)9(17)19/h4,13H2,1-3H3,(H,14,15)