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

Systemtic Name: 5-(6-chloranylpurin-9-yl)-3-(2-diethoxyphosphorylethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-(6-chloropurin-9-yl)-3-(2-diethoxyphosphorylethyl)-4,5-dihydroisoxazole CAS Name: 5-(6-chloro-9-purinyl)-3-(2-diethoxyphosphorylethyl)-4,5-dihydroisoxazole IUPAC Name: 5-(6-chloropurin-9-yl)-3-(2-diethoxyphosphorylethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 5-(6-chloropurin-9-yl)-3-(2-diethoxyphosphorylethyl)-2-isoxazoline Formula: C14H19ClN5O4P MolecularWeight: 387.758521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC1=NOC(C1)N2C=NC3=C2N=CN=C3Cl)OCC

Isomeric SMILES

CCOP(=O)(CCC1=NOC(C1)N2C=NC3=C2N=CN=C3Cl)OCC

InChI

InChI=1S/C14H19ClN5O4P/c1-3-22-25(21,23-4-2)6-5-10-7-11(24-19-10)20-9-18-12-13(15)16-8-17-14(12)20/h8-9,11H,3-7H2,1-2H3