7-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]-9H-purine-8-thione

Systemtic Name: 7-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propyl]-9H-purine-8-thione Openeye Name: 7-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propyl]-9H-purine-8-thione CAS Name: 7-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropyl]-9H-purine-8-thione IUPAC Name: 7-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-9H-purine-8-thione Traditional Name: 7-[3-(4-benzhydrylpiperazino)-2-hydroxy-propyl]-9H-purine-8-thione Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C3=CN=CN=C3NC2=S)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CN2C3=CN=CN=C3NC2=S)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6OS/c32-21(17-31-22-15-26-18-27-24(22)28-25(31)33)16-29-11-13-30(14-12-29)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15,18,21,23,32H,11-14,16-17H2,(H,26,27,28,33)