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

Systemtic Name: 2-[[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenoxypropyl)purin-8-yl]amino]ethylazanium Openeye Name: 2-[[3-methyl-2,6-dioxo-7-(3-phenoxypropyl)purin-8-yl]amino]ethylammonium CAS Name: 2-[[3-methyl-2,6-dioxo-7-(3-phenoxypropyl)-8-purinyl]amino]ethylammonium IUPAC Name: 2-[[3-methyl-2,6-dioxo-7-(3-phenoxypropyl)purin-8-yl]amino]ethylazanium Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-phenoxypropyl)purin-8-yl]amino]ethylammonium Formula: C17H23N6O3+ MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH3+])CCCOC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O3/c1-22-14-13(15(24)21-17(22)25)23(16(20-14)19-9-8-18)10-5-11-26-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,18H2,1H3,(H,19,20)(H,21,24,25)/p+1