3-propylsulfanyl-6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-2-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)C4=CC=CC=N4)NC=N2

Isomeric SMILES

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)C4=CC=CC=N4)NC=N2

InChI

InChI=1S/C17H21N7OS/c1-2-11-26-24-15-14(19-12-20-15)16(21-17(24)25)23-9-7-22(8-10-23)13-5-3-4-6-18-13/h3-6,12H,2,7-11H2,1H3,(H,19,20)