3-[2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-(3-benzyl-2,6-dioxo-purin-7-yl)propyl-dimethyl-ammonium CAS Name: 3-[2,6-dioxo-3-(phenylmethyl)-7-purinyl]propyl-dimethylammonium IUPAC Name: 3-(3-benzyl-2,6-dioxopurin-7-yl)propyl-dimethylazanium Traditional Name: 3-(3-benzyl-2,6-diketo-purin-7-yl)propyl-dimethyl-ammonium Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2/c1-20(2)9-6-10-21-12-18-15-14(21)16(23)19-17(24)22(15)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,23,24)/p+1