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

Systemtic Name: 9-(2-chloroethyloxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-purin-6-one Openeye Name: 9-(2-chloroethoxymethyl)-1,3-bis(o-tolyl)-2-thioxo-purin-6-one CAS Name: 9-(2-chloroethoxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-6-purinone IUPAC Name: 9-(2-chloroethoxymethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidenepurin-6-one Traditional Name: 9-(2-chloroethoxymethyl)-1,3-bis(o-tolyl)-2-thioxo-purin-6-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3COCCCl

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3COCCCl

InChI

InChI=1S/C22H21ClN4O2S/c1-15-7-3-5-9-17(15)26-20-19(24-13-25(20)14-29-12-11-23)21(28)27(22(26)30)18-10-6-4-8-16(18)2/h3-10,13H,11-12,14H2,1-2H3