2-[2-methyl-3-(purin-7-ylmethyl)phenyl]sulfanylethyl N-phenylcarbamate

Systemtic Name: 2-[2-methyl-3-(purin-7-ylmethyl)phenyl]sulfanylethyl N-phenylcarbamate Openeye Name: 2-[2-methyl-3-(purin-7-ylmethyl)phenyl]sulfanylethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-[[2-methyl-3-(7-purinylmethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[2-methyl-3-(purin-7-ylmethyl)phenyl]sulfanylethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[[2-methyl-3-(purin-7-ylmethyl)phenyl]thio]ethyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=NC4=NC=NC=C43

Isomeric SMILES

CC1=C(C=CC=C1SCCOC(=O)NC2=CC=CC=C2)CN3C=NC4=NC=NC=C43

InChI

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