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

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-phenoxyethyl)purin-8-yl]amino]ethylazanium Openeye Name: 2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]amino]ethylammonium CAS Name: 2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-8-purinyl]amino]ethylammonium IUPAC Name: 2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]amino]ethylazanium Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-phenoxyethyl)purin-8-yl]amino]ethylammonium Formula: C16H21N6O3+ MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CCOC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O3/c1-21-13-12(14(23)20-16(21)24)22(15(19-13)18-8-7-17)9-10-25-11-5-3-2-4-6-11/h2-6H,7-10,17H2,1H3,(H,18,19)(H,20,23,24)/p+1