7-(1,2-diazepan-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(1,2-diazepan-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-(diazepan-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-(1-diazepanyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(diazepan-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(diazepan-1-yl)-3-methyl-xanthine Formula: C11H16N6O2 MolecularWeight: 264.28374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)N3CCCCCN3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)N3CCCCCN3

InChI

InChI=1S/C11H16N6O2/c1-15-9-8(10(18)14-11(15)19)16(7-12-9)17-6-4-2-3-5-13-17/h7,13H,2-6H2,1H3,(H,14,18,19)