2-[4-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H32N7O3+ MolecularWeight: 418.51318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CC[NH+](CC3)CC(=O)NC4CC4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CC[NH+](CC3)CC(=O)NC4CC4)C

InChI

InChI=1S/C20H31N7O3/c1-3-4-7-27-18-17(19(29)23-20(27)30)24(2)15(22-18)12-25-8-10-26(11-9-25)13-16(28)21-14-5-6-14/h14H,3-13H2,1-2H3,(H,21,28)(H,23,29,30)/p+1