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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-(3-phenylpropyl)azanium Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl-(3-phenylpropyl)ammonium CAS Name: (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl-(3-phenylpropyl)ammonium IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl-(3-phenylpropyl)azanium Traditional Name: (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl-(3-phenylpropyl)ammonium Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CCCC3=CC=CC=C3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]CCCC3=CC=CC=C3)CCC

InChI

InChI=1S/C22H31N5O2/c1-3-5-15-27-20-19(21(28)25-22(27)29)26(14-4-2)18(24-20)16-23-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,23H,3-5,9,12-16H2,1-2H3,(H,25,28,29)/p+1