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3-[6-(phenylmethoxyamino)-9-(phenylmethyl)purin-9-ium-7-yl]propan-1-ol
3-[6-(phenylmethoxyamino)-9-(phenylmethyl)purin-9-ium-7-yl]propan-1-ol
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)C[N+]2=CN(C3=C2N=CN=C3NOCC4=CC=CC=C4)CCCO
Isomeric SMILES
C1=CC=C(C=C1)C[N+]2=CN(C3=C2N=CN=C3NOCC4=CC=CC=C4)CCCO
InChI
InChI=1S/C22H24N5O2/c28-13-7-12-26-17-27(14-18-8-3-1-4-9-18)22-20(26)21(23-16-24-22)25-29-15-19-10-5-2-6-11-19/h1-6,8-11,16-17,28H,7,12-15H2,(H,23,24,25)/q+1
Other Product
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- 3-(3-hydroxyphenyl)propanoic acid
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