7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methylpurine-2,6-dione IUPAC Name: 7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-8-(1,4-diazepan-1-yl)-3-methyl-xanthine Formula: C15H20N6O2 MolecularWeight: 316.3583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCNCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCNCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H20N6O2/c1-3-4-9-21-11-12(19(2)15(23)18-13(11)22)17-14(21)20-8-5-6-16-7-10-20/h16H,5-10H2,1-2H3,(H,18,22,23)