7-but-2-ynyl-1-methyl-3-(2-oxidanylpropyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(2-oxidanylpropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2-hydroxypropyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2-hydroxypropyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2-hydroxypropyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-hydroxypropyl)-1-methyl-8-piperazino-xanthine Formula: C17H24N6O3 MolecularWeight: 360.41086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O3/c1-4-5-8-22-13-14(19-16(22)21-9-6-18-7-10-21)23(11-12(2)24)17(26)20(3)15(13)25/h12,18,24H,6-11H2,1-3H3