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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25N5O2/c1-11(2)10-21-12-13(19(3)16(23)18-14(12)22)17-15(21)20-8-6-4-5-7-9-20/h11H,4-10H2,1-3H3,(H,18,22,23)