2-[2-[2-[8-bromanyl-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoyl]phenoxy]-N-methyl-ethanamide

Systemtic Name: 2-[2-[2-[8-bromanyl-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoyl]phenoxy]-N-methyl-ethanamide Openeye Name: 2-[2-[2-(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl)acetyl]phenoxy]-N-methyl-acetamide CAS Name: 2-[2-[2-(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxo-1-purinyl)-1-oxoethyl]phenoxy]-N-methylacetamide IUPAC Name: 2-[2-[2-(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl)acetyl]phenoxy]-N-methylacetamide Traditional Name: 2-[2-[2-(8-bromo-7-but-2-ynyl-2,6-diketo-3-methyl-purin-1-yl)acetyl]phenoxy]-N-methyl-acetamide Formula: C21H20BrN5O5 MolecularWeight: 502.318

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3OCC(=O)NC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3OCC(=O)NC)C

InChI

InChI=1S/C21H20BrN5O5/c1-4-5-10-26-17-18(24-20(26)22)25(3)21(31)27(19(17)30)11-14(28)13-8-6-7-9-15(13)32-12-16(29)23-2/h6-9H,10-12H2,1-3H3,(H,23,29)