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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-phenoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carbothioamide Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H25N7O3S/c1-28-20-19(21(32)29(2)24(28)33)26-22(27-20)30-12-14-31(15-13-30)23(35)25-16-8-10-18(11-9-16)34-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,25,35)(H,26,27)