1-[4-[2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylethoxy]phenyl]ethanone

Systemtic Name: 1-[4-[2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylethoxy]phenyl]ethanone Openeye Name: 1-[4-[2-(6-amino-9-benzyl-purin-8-yl)sulfanylethoxy]phenyl]ethanone CAS Name: 1-[4-[2-[[6-amino-9-(phenylmethyl)-8-purinyl]thio]ethoxy]phenyl]ethanone IUPAC Name: 1-[4-[2-(6-amino-9-benzylpurin-8-yl)sulfanylethoxy]phenyl]ethanone Traditional Name: 1-[4-[2-[(6-amino-9-benzyl-purin-8-yl)thio]ethoxy]phenyl]ethanone Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCSC2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCSC2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C22H21N5O2S/c1-15(28)17-7-9-18(10-8-17)29-11-12-30-22-26-19-20(23)24-14-25-21(19)27(22)13-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H2,23,24,25)