5-(6-chloranylpurin-9-yl)-3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(6-chloranylpurin-9-yl)-3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-(6-chloropurin-9-yl)-3-(tetrahydropyran-2-yloxymethyl)-4,5-dihydroisoxazole CAS Name: 5-(6-chloro-9-purinyl)-3-(2-oxanyloxymethyl)-4,5-dihydroisoxazole IUPAC Name: 5-(6-chloropurin-9-yl)-3-(oxan-2-yloxymethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 5-(6-chloropurin-9-yl)-3-(tetrahydropyran-2-yloxymethyl)-2-isoxazoline Formula: C14H16ClN5O3 MolecularWeight: 337.76154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=NOC(C2)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1CCOC(C1)OCC2=NOC(C2)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C14H16ClN5O3/c15-13-12-14(17-7-16-13)20(8-18-12)10-5-9(19-23-10)6-22-11-3-1-2-4-21-11/h7-8,10-11H,1-6H2