7-but-2-ynyl-2-chloranyl-8-piperazin-1-yl-3H-purin-6-one

Systemtic Name: 7-but-2-ynyl-2-chloranyl-8-piperazin-1-yl-3H-purin-6-one Openeye Name: 7-but-2-ynyl-2-chloro-8-piperazin-1-yl-3H-purin-6-one CAS Name: 7-but-2-ynyl-2-chloro-8-(1-piperazinyl)-3H-purin-6-one IUPAC Name: 7-but-2-ynyl-2-chloro-8-piperazin-1-yl-3H-purin-6-one Traditional Name: 7-but-2-ynyl-2-chloro-8-piperazino-3H-purin-6-one Formula: C13H15ClN6O MolecularWeight: 306.7508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N3CCNCC3

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N3CCNCC3

InChI

InChI=1S/C13H15ClN6O/c1-2-3-6-20-9-10(16-12(14)18-11(9)21)17-13(20)19-7-4-15-5-8-19/h15H,4-8H2,1H3,(H,16,18,21)