diethyl-[2-[(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: diethyl-[2-[(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: diethyl-[2-[(2-methyl-6-oxo-9-phenyl-purin-1-yl)amino]-2-oxo-ethyl]ammonium CAS Name: diethyl-[2-[(2-methyl-6-oxo-9-phenyl-1-purinyl)amino]-2-oxoethyl]ammonium IUPAC Name: diethyl-[2-[(2-methyl-6-oxo-9-phenylpurin-1-yl)amino]-2-oxoethyl]azanium Traditional Name: diethyl-[2-keto-2-[(6-keto-2-methyl-9-phenyl-purin-1-yl)amino]ethyl]ammonium Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NN1C(=NC2=C(C1=O)N=CN2C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CC(=O)NN1C(=NC2=C(C1=O)N=CN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N6O2/c1-4-22(5-2)11-15(25)21-24-13(3)20-17-16(18(24)26)19-12-23(17)14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3,(H,21,25)/p+1