4-[2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]acetyl]amino]benzamide Formula: C23H24N6O5 MolecularWeight: 464.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=C(C=C3)C(=O)N)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=C(C=C3)C(=O)N)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C23H24N6O5/c1-2-3-10-28-21-19(27(14-25-21)12-17-5-4-11-34-17)22(32)29(23(28)33)13-18(30)26-16-8-6-15(7-9-16)20(24)31/h4-9,11,14H,2-3,10,12-13H2,1H3,(H2,24,31)(H,26,30)