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N-[6-oxidanylidene-7,9-bis(phenylmethyl)-3H-purin-9-ium-2-yl]ethanamide
N-[6-oxidanylidene-7,9-bis(phenylmethyl)-3H-purin-9-ium-2-yl]ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC(=O)NC1=NC(=O)C2=C(N1)[N+](=CN2CC3=CC=CC=C3)CC4=CC=CC=C4
Isomeric SMILES
CC(=O)NC1=NC(=O)C2=C(N1)[N+](=CN2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H19N5O2/c1-15(27)22-21-23-19-18(20(28)24-21)25(12-16-8-4-2-5-9-16)14-26(19)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H-,22,23,24,27,28)/p+1
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