8-(azepan-1-yl)-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7-propyl-xanthine Formula: C15H23N5O2 MolecularWeight: 305.37542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23N5O2/c1-3-8-20-11-12(18(2)15(22)17-13(11)21)16-14(20)19-9-6-4-5-7-10-19/h3-10H2,1-2H3,(H,17,21,22)