5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: 5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Openeye Name: 5-[6-(benzylamino)-2-chloro-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: 5-[2-chloro-6-[(phenylmethyl)amino]-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: 5-[6-(benzylamino)-2-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Traditional Name: 5-[6-(benzylamino)-2-chloro-purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)Cl)CO)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)Cl)CO)O

InChI

InChI=1S/C17H18ClN5O3/c18-17-21-15(19-7-10-4-2-1-3-5-10)14-16(22-17)23(9-20-14)13-6-11(25)12(8-24)26-13/h1-5,9,11-13,24-25H,6-8H2,(H,19,21,22)