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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-(4-benzylpiperazino)-3-(7H-purin-6-ylthio)propan-2-ol Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(CSC3=NC=NC4=C3NC=N4)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(CSC3=NC=NC4=C3NC=N4)O

InChI

InChI=1S/C19H24N6OS/c26-16(12-27-19-17-18(21-13-20-17)22-14-23-19)11-25-8-6-24(7-9-25)10-15-4-2-1-3-5-15/h1-5,13-14,16,26H,6-12H2,(H,20,21,22,23)