butyl 4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H22BrN5O5 MolecularWeight: 492.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C20H22BrN5O5/c1-4-5-10-31-18(29)12-6-8-13(9-7-12)22-14(27)11-26-16-15(23-19(26)21)17(28)25(3)20(30)24(16)2/h6-9H,4-5,10-11H2,1-3H3,(H,22,27)