1-(7H-purin-6-ylsulfanyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-(7H-purin-6-ylsulfanyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: 1-(7H-purin-6-ylsulfanyl)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol CAS Name: 1-(7H-purin-6-ylthio)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(7H-purin-6-ylsulfanyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: 1-(7H-purin-6-ylthio)-3-[4-(2-pyridyl)piperazino]propan-2-ol Formula: C17H21N7OS MolecularWeight: 371.45994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C4=CC=CC=N4

InChI

InChI=1S/C17H21N7OS/c25-13(10-26-17-15-16(20-11-19-15)21-12-22-17)9-23-5-7-24(8-6-23)14-3-1-2-4-18-14/h1-4,11-13,25H,5-10H2,(H,19,20,21,22)