[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-(2-methoxyethyl)azanium

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-(2-methoxyethyl)azanium Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl-(2-methoxyethyl)ammonium CAS Name: (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl-(2-methoxyethyl)ammonium IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl-(2-methoxyethyl)azanium Traditional Name: (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl-(2-methoxyethyl)ammonium Formula: C16H28N5O3+ MolecularWeight: 338.42522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CCOC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CCOC)CCC

InChI

InChI=1S/C16H27N5O3/c1-4-6-9-21-14-13(15(22)19-16(21)23)20(8-5-2)12(18-14)11-17-7-10-24-3/h17H,4-11H2,1-3H3,(H,19,22,23)/p+1