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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O2/c1-12(2)11-22-13-14(19(3)17(24)20(4)15(13)23)18-16(22)21-9-7-5-6-8-10-21/h1,5-11H2,2-4H3