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

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

Systemtic Name:diethyl-[2-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]ethyl]azanium
Openeye Name:diethyl-[2-(7-methyl-2,6-dioxo-purin-3-yl)ethyl]ammonium
CAS Name:diethyl-[2-(7-methyl-2,6-dioxo-3-purinyl)ethyl]ammonium
IUPAC Name:diethyl-[2-(7-methyl-2,6-dioxopurin-3-yl)ethyl]azanium
Traditional Name:2-(2,6-diketo-7-methyl-purin-3-yl)ethyl-diethyl-ammonium
Formula: C12H20N5O2+
MolecularWeight: 266.3195
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=C(C(=O)NC1=O)N(C=N2)C


Isomeric SMILES

CC[NH+](CC)CCN1C2=C(C(=O)NC1=O)N(C=N2)C


InChI

InChI=1S/C12H19N5O2/c1-4-16(5-2)6-7-17-10-9(15(3)8-13-10)11(18)14-12(17)19/h8H,4-7H2,1-3H3,(H,14,18,19)/p+1


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