2-[[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]amino]ethylazanium

Systemtic Name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]amino]ethylazanium Openeye Name: 2-[(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)amino]ethylammonium CAS Name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]amino]ethylammonium IUPAC Name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]amino]ethylazanium Traditional Name: 2-[(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)amino]ethylammonium Formula: C13H23N6O2+ MolecularWeight: 295.36072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NCC[NH3+])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NCC[NH3+])N(C(=O)NC2=O)C

InChI

InChI=1S/C13H22N6O2/c1-8(2)4-7-19-9-10(16-12(19)15-6-5-14)18(3)13(21)17-11(9)20/h8H,4-7,14H2,1-3H3,(H,15,16)(H,17,20,21)/p+1