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

Systemtic Name: 7-but-2-ynyl-2-chloranyl-1-methyl-8-piperazin-1-yl-purin-6-one Openeye Name: 7-but-2-ynyl-2-chloro-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-2-chloro-1-methyl-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-2-chloro-1-methyl-8-piperazin-1-ylpurin-6-one Traditional Name: 7-but-2-ynyl-2-chloro-1-methyl-8-piperazino-purin-6-one Formula: C14H17ClN6O MolecularWeight: 320.77738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)Cl

InChI

InChI=1S/C14H17ClN6O/c1-3-4-7-21-10-11(17-13(15)19(2)12(10)22)18-14(21)20-8-5-16-6-9-20/h16H,5-9H2,1-2H3