[7-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [7-(2-ethoxy-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [7-(2-ethoxy-2-oxoethyl)-3-methyl-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [7-(2-ethoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [7-(2-ethoxy-2-keto-ethyl)-2,6-diketo-3-methyl-purin-8-yl]methyl-dipropyl-ammonium Formula: C17H28N5O4+ MolecularWeight: 366.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CC(=O)OCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC(=O)OCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H27N5O4/c1-5-8-21(9-6-2)10-12-18-15-14(16(24)19-17(25)20(15)4)22(12)11-13(23)26-7-3/h5-11H2,1-4H3,(H,19,24,25)/p+1