7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanyl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanyl-purin-6-one Openeye Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanyl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-2-(2-pyrazinylthio)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrazin-2-ylsulfanylpurin-6-one Traditional Name: 7-but-2-ynyl-1-methyl-8-piperazino-2-(pyrazin-2-ylthio)purin-6-one Formula: C18H20N8OS MolecularWeight: 396.4694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CN=C4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)SC4=NC=CN=C4

InChI

InChI=1S/C18H20N8OS/c1-3-4-9-26-14-15(22-17(26)25-10-7-19-8-11-25)23-18(24(2)16(14)27)28-13-12-20-5-6-21-13/h5-6,12,19H,7-11H2,1-2H3