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

Systemtic Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]-N-(3-mesylphenyl)acetamide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O6S/c1-3-4-10-27-21-20(26(15-24-21)13-17-8-6-11-34-17)22(30)28(23(27)31)14-19(29)25-16-7-5-9-18(12-16)35(2,32)33/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,25,29)