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

Systemtic Name: butyl-ethyl-[[3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]methyl]azanium Openeye Name: butyl-ethyl-[(3-methyl-2,6-dioxo-7-phenacyl-purin-8-yl)methyl]ammonium CAS Name: butyl-ethyl-[(3-methyl-2,6-dioxo-7-phenacyl-8-purinyl)methyl]ammonium IUPAC Name: butyl-ethyl-[(3-methyl-2,6-dioxo-7-phenacylpurin-8-yl)methyl]azanium Traditional Name: butyl-[(2,6-diketo-3-methyl-7-phenacyl-purin-8-yl)methyl]-ethyl-ammonium Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCC[NH+](CC)CC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H27N5O3/c1-4-6-12-25(5-2)14-17-22-19-18(20(28)23-21(29)24(19)3)26(17)13-16(27)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3,(H,23,28,29)/p+1