[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-(4-methylcyclohexyl)azanium

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl-(4-methylcyclohexyl)azanium Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl-(4-methylcyclohexyl)ammonium CAS Name: (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl-(4-methylcyclohexyl)ammonium IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl-(4-methylcyclohexyl)azanium Traditional Name: (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl-(4-methylcyclohexyl)ammonium Formula: C20H34N5O2+ MolecularWeight: 376.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]C3CCC(CC3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH2+]C3CCC(CC3)C)CCC

InChI

InChI=1S/C20H33N5O2/c1-4-6-12-25-18-17(19(26)23-20(25)27)24(11-5-2)16(22-18)13-21-15-9-7-14(3)8-10-15/h14-15,21H,4-13H2,1-3H3,(H,23,26,27)/p+1