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

Systemtic Name: butyl-ethyl-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl]azanium Openeye Name: butyl-ethyl-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]ammonium CAS Name: butyl-ethyl-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl]ammonium IUPAC Name: butyl-ethyl-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]azanium Traditional Name: butyl-[(2,6-diketo-3-methyl-7-phenethyl-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(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCC[NH+](CC)CC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-4-6-13-25(5-2)15-17-22-19-18(20(27)23-21(28)24(19)3)26(17)14-12-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3,(H,23,27,28)/p+1