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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-isoamyl-3-methyl-xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27N5O2/c1-12(2)8-11-22-13-14(20(3)17(24)19-15(13)23)18-16(22)21-9-6-4-5-7-10-21/h12H,4-11H2,1-3H3,(H,19,23,24)