N-(pyridin-3-ylmethyl)-6-[4-(pyridin-3-ylmethylcarbamothioyl)piperazin-1-yl]purine-9-carbothioamide

Systemtic Name: N-(pyridin-3-ylmethyl)-6-[4-(pyridin-3-ylmethylcarbamothioyl)piperazin-1-yl]purine-9-carbothioamide Openeye Name: N-(3-pyridylmethyl)-6-[4-(3-pyridylmethylcarbamothioyl)piperazin-1-yl]purine-9-carbothioamide CAS Name: N-(3-pyridinylmethyl)-6-[4-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-piperazinyl]-9-purinecarbothioamide IUPAC Name: N-(pyridin-3-ylmethyl)-6-[4-(pyridin-3-ylmethylcarbamothioyl)piperazin-1-yl]purine-9-carbothioamide Traditional Name: N-(3-pyridylmethyl)-6-[4-(3-pyridylmethylthiocarbamoyl)piperazino]purine-9-carbothioamide Formula: C23H24N10S2 MolecularWeight: 504.63366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2N=CN3C(=S)NCC4=CN=CC=C4)C(=S)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2N=CN3C(=S)NCC4=CN=CC=C4)C(=S)NCC5=CN=CC=C5

InChI

InChI=1S/C23H24N10S2/c34-22(26-13-17-3-1-5-24-11-17)32-9-7-31(8-10-32)20-19-21(29-15-28-20)33(16-30-19)23(35)27-14-18-4-2-6-25-12-18/h1-6,11-12,15-16H,7-10,13-14H2,(H,26,34)(H,27,35)