1,3-bis[(4-chlorophenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-bis[(4-chlorophenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-bis[(4-chlorophenyl)methyl]-8-isopropyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-bis(4-chlorobenzyl)-8-isopropyl-6-thioxo-7H-purin-2-one Formula: C22H20Cl2N4OS MolecularWeight: 459.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=S)N(C(=O)N2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=S)N(C(=O)N2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20Cl2N4OS/c1-13(2)19-25-18-20(26-19)27(11-14-3-7-16(23)8-4-14)22(29)28(21(18)30)12-15-5-9-17(24)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,25,26)