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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23N5O2/c1-10(2)20-11-12(18(3)15(22)17-13(11)21)16-14(20)19-8-6-4-5-7-9-19/h10H,4-9H2,1-3H3,(H,17,21,22)