4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2,4-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-(2,4-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H25N7O2S MolecularWeight: 427.5232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C20H25N7O2S/c1-12-5-6-14(13(2)11-12)21-19(30)27-9-7-26(8-10-27)18-22-15-16(23-18)24(3)20(29)25(4)17(15)28/h5-6,11H,7-10H2,1-4H3,(H,21,30)(H,22,23)