3-(6-chloranylpurin-9-yl)-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepine 1-oxide

Systemtic Name: 3-(6-chloranylpurin-9-yl)-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepine 1-oxide Openeye Name: 3-(6-chloropurin-9-yl)-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepine 1-oxide CAS Name: 3-(6-chloro-9-purinyl)-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin 1-oxide IUPAC Name: 3-(6-chloropurin-9-yl)-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepine 1-oxide Traditional Name: 3-(6-chloropurin-9-yl)-3,5-dihydro-2H-4,1$l^{4}-benzoxathiepin 1-oxide Formula: C14H11ClN4O2S MolecularWeight: 334.78074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2S1=O)N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1C(OCC2=CC=CC=C2S1=O)N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C14H11ClN4O2S/c15-13-12-14(17-7-16-13)19(8-18-12)11-6-22(20)10-4-2-1-3-9(10)5-21-11/h1-4,7-8,11H,5-6H2