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

Systemtic Name: N-aminocarbonyl-2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: 2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]-N-carbamoyl-acetamide CAS Name: 2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-N-carbamoylacetamide IUPAC Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]-N-carbamoylacetamide Traditional Name: 2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]-N-carbamoyl-acetamide Formula: C17H20N6O5 MolecularWeight: 388.3779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O5/c1-2-3-6-22-14-13(21(10-19-14)8-11-5-4-7-28-11)15(25)23(17(22)27)9-12(24)20-16(18)26/h4-5,7,10H,2-3,6,8-9H2,1H3,(H3,18,20,24,26)