1-[4-[bis(4-bromophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

Systemtic Name: 1-[4-[bis(4-bromophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-[4-[bis(4-bromophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-[bis(4-bromophenyl)methyl]-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-[4-[bis(4-bromophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-[4-[bis(4-bromophenyl)methyl]piperazino]-3-(7H-purin-6-ylthio)propan-2-ol Formula: C25H26Br2N6OS MolecularWeight: 618.38654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H26Br2N6OS/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31)