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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O2/c1-4-9-21-12-13(18(2)16(23)19(3)14(12)22)17-15(21)20-10-7-5-6-8-11-20/h4-11H2,1-3H3