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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-7-propyl-2,9-dihydropurine-8-thione Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-7-propyl-2,9-dihydropurine-8-thione CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxy-7-propyl-2,9-dihydropurine-8-thione IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-7-propyl-2,9-dihydropurine-8-thione Traditional Name: 3-(4-benzhydrylpiperazino)-2-hydroxy-7-propyl-2,9-dihydropurine-8-thione Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(NC1=S)N(C(N=C2)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(NC1=S)N(C(N=C2)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N6OS/c1-2-13-30-21-18-26-24(32)31(23(21)27-25(30)33)29-16-14-28(15-17-29)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22,24,32H,2,13-17H2,1H3,(H,27,33)