[(1R,2S)-2-[(2-azanyl-6-phenylmethoxy-7H-purin-9-ium-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol

Systemtic Name: [(1R,2S)-2-[(2-azanyl-6-phenylmethoxy-7H-purin-9-ium-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol Openeye Name: [(1R,2S)-2-[(2-amino-6-benzyloxy-7H-purin-9-ium-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol CAS Name: [(1R,2S)-2-[(2-amino-6-phenylmethoxy-7H-purin-9-ium-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol IUPAC Name: [(1R,2S)-2-[(2-amino-6-phenylmethoxy-7H-purin-9-ium-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol Traditional Name: [(1R,2S)-2-[(2-amino-6-benzoxy-7H-purin-9-ium-9-yl)methyl]-2-methylol-cyclopropyl]methanol Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(C[N+]2=CNC3=C2N=C(N=C3OCC4=CC=CC=C4)N)CO)CO

Isomeric SMILES

C1[C@H]([C@@]1(C[N+]2=CNC3=C2N=C(N=C3OCC4=CC=CC=C4)N)CO)CO

InChI

InChI=1S/C18H21N5O3/c19-17-21-15-14(16(22-17)26-8-12-4-2-1-3-5-12)20-11-23(15)9-18(10-25)6-13(18)7-24/h1-5,11,13,24-25H,6-10H2,(H2,19,21,22)/p+1/t13-,18-/m0/s1