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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-propyl-azanium Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl-propyl-ammonium CAS Name: (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl-propylammonium IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl-propylazanium Traditional Name: (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl-propyl-ammonium Formula: C16H28N5O2+ MolecularWeight: 322.42582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N5O2/c1-4-7-10-21-14-13(15(22)19-16(21)23)20(9-6-3)12(18-14)11-17-8-5-2/h17H,4-11H2,1-3H3,(H,19,22,23)/p+1