7-but-2-ynyl-1-methyl-2-(2-oxidanylidenepropyl)-8-piperazin-1-yl-purin-6-one

Systemtic Name: 7-but-2-ynyl-1-methyl-2-(2-oxidanylidenepropyl)-8-piperazin-1-yl-purin-6-one Openeye Name: 2-acetonyl-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one CAS Name: 7-but-2-ynyl-1-methyl-2-(2-oxopropyl)-8-(1-piperazinyl)-6-purinone IUPAC Name: 7-but-2-ynyl-1-methyl-2-(2-oxopropyl)-8-piperazin-1-ylpurin-6-one Traditional Name: 2-acetonyl-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-4-5-8-23-14-15(20-17(23)22-9-6-18-7-10-22)19-13(11-12(2)24)21(3)16(14)25/h18H,6-11H2,1-3H3