2-[[3-methyl-2,6-bis(oxidanylidene)-1,7-bis(phenylmethyl)purin-8-yl]amino]ethylazanium

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-1,7-bis(phenylmethyl)purin-8-yl]amino]ethylazanium Openeye Name: 2-[(1,7-dibenzyl-3-methyl-2,6-dioxo-purin-8-yl)amino]ethylammonium CAS Name: 2-[[3-methyl-2,6-dioxo-1,7-bis(phenylmethyl)-8-purinyl]amino]ethylammonium IUPAC Name: 2-[(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)amino]ethylazanium Traditional Name: 2-[(1,7-dibenzyl-2,6-diketo-3-methyl-purin-8-yl)amino]ethylammonium Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC[NH3+])CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)NCC[NH3+])CC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2/c1-26-19-18(20(29)28(22(26)30)15-17-10-6-3-7-11-17)27(21(25-19)24-13-12-23)14-16-8-4-2-5-9-16/h2-11H,12-15,23H2,1H3,(H,24,25)/p+1