methyl 5-bromanyl-2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]benzoate Openeye Name: methyl 5-bromo-2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]benzoate CAS Name: 5-bromo-2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate Traditional Name: 5-bromo-2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H16BrN5O5 MolecularWeight: 450.24344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C17H16BrN5O5/c1-21-14-13(15(25)22(2)17(21)27)23(8-19-14)7-12(24)20-11-5-4-9(18)6-10(11)16(26)28-3/h4-6,8H,7H2,1-3H3,(H,20,24)