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

Systemtic Name: 3-[[3-methyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]amino]propylazanium Openeye Name: 3-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]amino]propylammonium CAS Name: 3-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]amino]propylammonium IUPAC Name: 3-[[3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]amino]propylazanium Traditional Name: 3-[[2,6-diketo-3-methyl-7-(3-phenylpropyl)purin-8-yl]amino]propylammonium Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC[NH3+])CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC[NH3+])CCCC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-23-15-14(16(25)22-18(23)26)24(17(21-15)20-11-6-10-19)12-5-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,19H2,1H3,(H,20,21)(H,22,25,26)/p+1