2-tert-butyl-5-[4-(6-chloranylpurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1,3,4-oxadiazole

Systemtic Name: 2-tert-butyl-5-[4-(6-chloranylpurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1,3,4-oxadiazole Openeye Name: 2-tert-butyl-5-[4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1,3,4-oxadiazole CAS Name: 2-tert-butyl-5-[4-(6-chloro-9-purinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1,3,4-oxadiazole IUPAC Name: 2-tert-butyl-5-[4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1,3,4-oxadiazole Traditional Name: 2-tert-butyl-5-[4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1,3,4-oxadiazole Formula: C18H21ClN6O4 MolecularWeight: 420.85014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(OC2C3=NN=C(O3)C(C)(C)C)N4C=NC5=C4N=CN=C5Cl)C

Isomeric SMILES

CC1(OC2C(O1)C(OC2C3=NN=C(O3)C(C)(C)C)N4C=NC5=C4N=CN=C5Cl)C

InChI

InChI=1S/C18H21ClN6O4/c1-17(2,3)16-24-23-14(27-16)10-9-11(29-18(4,5)28-9)15(26-10)25-7-22-8-12(19)20-6-21-13(8)25/h6-7,9-11,15H,1-5H3