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

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 8-(1-azepanyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(2-keto-1-methyl-propyl)-1,3-dimethyl-xanthine Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3/c1-11(12(2)23)22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)21-9-7-5-6-8-10-21/h11H,5-10H2,1-4H3