9-(2-chloroethyloxymethyl)-1,3-diphenyl-2-sulfanylidene-purin-6-one

Systemtic Name: 9-(2-chloroethyloxymethyl)-1,3-diphenyl-2-sulfanylidene-purin-6-one Openeye Name: 9-(2-chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one CAS Name: 9-(2-chloroethoxymethyl)-1,3-diphenyl-2-sulfanylidene-6-purinone IUPAC Name: 9-(2-chloroethoxymethyl)-1,3-diphenyl-2-sulfanylidenepurin-6-one Traditional Name: 9-(2-chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3COCCCl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3COCCCl

InChI

InChI=1S/C20H17ClN4O2S/c21-11-12-27-14-23-13-22-17-18(23)24(15-7-3-1-4-8-15)20(28)25(19(17)26)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2