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

Systemtic Name: 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N7O3+ MolecularWeight: 398.43896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CC(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CC(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N7O3/c1-23-16-15(17(28)22-19(23)29)26(11-13-5-3-2-4-6-13)18(21-16)25-9-7-24(8-10-25)12-14(20)27/h2-6H,7-12H2,1H3,(H2,20,27)(H,22,28,29)/p+1