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

Systemtic Name: 7-butan-2-yl-1-methyl-8-piperazin-1-yl-3-propyl-purine-2,6-dione Openeye Name: 1-methyl-8-piperazin-1-yl-3-propyl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-1-methyl-8-(1-piperazinyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butan-2-yl-1-methyl-8-piperazin-1-yl-3-propylpurine-2,6-dione Traditional Name: 1-methyl-8-piperazino-3-propyl-7-sec-butyl-xanthine Formula: C17H28N6O2 MolecularWeight: 348.44322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C(C)CC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C(C)CC

InChI

InChI=1S/C17H28N6O2/c1-5-9-22-14-13(15(24)20(4)17(22)25)23(12(3)6-2)16(19-14)21-10-7-18-8-11-21/h12,18H,5-11H2,1-4H3