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

Systemtic Name: [7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methyl-cyclohexyl-methyl-azanium Openeye Name: (3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methyl-cyclohexyl-methyl-ammonium CAS Name: [7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methyl-cyclohexyl-methylammonium IUPAC Name: (3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methyl-cyclohexyl-methylazanium Traditional Name: (3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methyl-cyclohexyl-methyl-ammonium Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C[NH+](C)C4CCCCC4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C[NH+](C)C4CCCCC4

InChI

InChI=1S/C24H33N5O2/c1-3-4-15-28-20(17-27(2)19-13-9-6-10-14-19)25-22-21(28)23(30)26-24(31)29(22)16-18-11-7-5-8-12-18/h5,7-8,11-12,19H,3-4,6,9-10,13-17H2,1-2H3,(H,26,30,31)/p+1