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

Systemtic Name: butyl-ethyl-[[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]methyl]azanium Openeye Name: butyl-ethyl-[[3-methyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]methyl]ammonium CAS Name: butyl-ethyl-[[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]methyl]ammonium IUPAC Name: butyl-ethyl-[[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: butyl-[[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]methyl]-ethyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCC[NH+](CC)CC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-5-7-11-25(6-2)14-17-22-19-18(20(27)23-21(28)24(19)4)26(17)13-16-10-8-9-15(3)12-16/h8-10,12H,5-7,11,13-14H2,1-4H3,(H,23,27,28)/p+1