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

Systemtic Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-methylbutan-2-yl)ethanamide Openeye Name: 2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]-N-(1,2-dimethylpropyl)acetamide CAS Name: 2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]-N-(3-methylbutan-2-yl)acetamide Traditional Name: 2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]-N-(1,2-dimethylpropyl)acetamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC(C)C(C)C)N(C=N2)CC3=CC=CO3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC(C)C(C)C)N(C=N2)CC3=CC=CO3

InChI

InChI=1S/C21H29N5O4/c1-5-6-9-25-19-18(24(13-22-19)11-16-8-7-10-30-16)20(28)26(21(25)29)12-17(27)23-15(4)14(2)3/h7-8,10,13-15H,5-6,9,11-12H2,1-4H3,(H,23,27)