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

Systemtic Name: 9-(2-chloroethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-purin-6-one Openeye Name: 9-(2-chloroethyl)-1,3-bis(o-tolyl)-2-thioxo-purin-6-one CAS Name: 9-(2-chloroethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidene-6-purinone IUPAC Name: 9-(2-chloroethyl)-1,3-bis(2-methylphenyl)-2-sulfanylidenepurin-6-one Traditional Name: 9-(2-chloroethyl)-1,3-bis(o-tolyl)-2-thioxo-purin-6-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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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=CN3CCCl

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3CCCl

InChI

InChI=1S/C21H19ClN4OS/c1-14-7-3-5-9-16(14)25-19-18(23-13-24(19)12-11-22)20(27)26(21(25)28)17-10-6-4-8-15(17)2/h3-10,13H,11-12H2,1-2H3