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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O2/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/h8H,4-7,9-11H2,1-3H3,(H,19,23,24)