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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C25H27N7O2S MolecularWeight: 489.59258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N7O2S/c1-28-21-20(22(33)29(2)25(28)34)32(17-18-9-5-3-6-10-18)23(27-21)30-13-15-31(16-14-30)24(35)26-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3,(H,26,35)