2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NCCSC3=CC=CC=C3)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NCCSC3=CC=CC=C3)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C24H27N5O4S/c1-2-3-12-28-22-21(27(17-26-22)15-18-8-7-13-33-18)23(31)29(24(28)32)16-20(30)25-11-14-34-19-9-5-4-6-10-19/h4-10,13,17H,2-3,11-12,14-16H2,1H3,(H,25,30)