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

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-isopropyl-1,3-dimethyl-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O2/c1-11(2)21-12-13(18(3)16(23)19(4)14(12)22)17-15(21)20-9-7-5-6-8-10-20/h11H,5-10H2,1-4H3