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

Systemtic Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)-8-piperazin-4-ium-1-yl-purin-1-yl]ethanamide Openeye Name: 2-(7-isopentyl-3-methyl-2,6-dioxo-8-piperazin-4-ium-1-yl-purin-1-yl)acetamide CAS Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-(1-piperazin-4-iumyl)-1-purinyl]acetamide IUPAC Name: 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-piperazin-4-ium-1-ylpurin-1-yl]acetamide Traditional Name: 2-(7-isoamyl-2,6-diketo-3-methyl-8-piperazin-4-ium-1-yl-purin-1-yl)acetamide Formula: C17H28N7O3+ MolecularWeight: 378.44932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)CC(=O)N)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)CC(=O)N)C

InChI

InChI=1S/C17H27N7O3/c1-11(2)4-7-23-13-14(20-16(23)22-8-5-19-6-9-22)21(3)17(27)24(15(13)26)10-12(18)25/h11,19H,4-10H2,1-3H3,(H2,18,25)/p+1