7-butan-2-yl-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-8-piperazino-7-sec-butyl-xanthine Formula: C14H22N6O2 MolecularWeight: 306.36348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N6O2/c1-4-9(2)20-10-11(18(3)14(22)17-12(10)21)16-13(20)19-7-5-15-6-8-19/h9,15H,4-8H2,1-3H3,(H,17,21,22)