7-[2-(azepan-1-yl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2-(azepan-1-yl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(azepan-1-yl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(1-azepanyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(azepan-1-yl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(azepan-1-yl)ethyl]-3-methyl-xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3CCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3CCCCCC3

InChI

InChI=1S/C14H21N5O2/c1-17-12-11(13(20)16-14(17)21)19(10-15-12)9-8-18-6-4-2-3-5-7-18/h10H,2-9H2,1H3,(H,16,20,21)