diethyl-[[3-methyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]azanium

Systemtic Name: diethyl-[[3-methyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl]azanium Openeye Name: diethyl-[[3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]methyl]ammonium CAS Name: diethyl-[[3-methyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]methyl]ammonium IUPAC Name: diethyl-[[3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]methyl]azanium Traditional Name: [2,6-diketo-3-methyl-7-(1-naphthylmethyl)purin-8-yl]methyl-diethyl-ammonium Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

Isomeric SMILES

CC[NH+](CC)CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H25N5O2/c1-4-26(5-2)14-18-23-20-19(21(28)24-22(29)25(20)3)27(18)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,4-5,13-14H2,1-3H3,(H,24,28,29)/p+1